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CATL1_HUMAN_114_333

Cathepsin L1 [Peptidase C1 family]

Composition of the binding site

Protein chains monomer
A1 (CATL1_HUMAN):32, 36, 38:60, 62, 75, 77:100, 131:139, 174:176, 178:185, 227, 248, 251:254, 257, 258, 260, 271:277, 302, 305, 306, 327, 32932, 36, 38:60, 62, 75, 77:100, 131:139, 174:176, 178:185, 227, 248, 251:254, 257, 258, 260, 271:277, 302, 305, 306, 327, 329

Full PDB list

1cjl, 1cs8, 1icf, 1mhw, 2nqd, 2vhs, 2xu1, 2xu3, 2xu4, 2xu5, 2yj2, 2yj8, 2yj9, 2yjb, 2yjc, 3bc3, 3h89, 3h8b, 3h8c, 3hha, 3hwn, 3iv2, 3k24, 3kse, 3of8, 3of9, 4axl, 4axm, 5f02, 5i4h, 5mae, 5maj, 5mqy (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
N
1
3
1
Q
1
3
2
G
1
3
3
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C
1
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1
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S
1
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7
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3
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W
1
3
9
G
1
7
4
N
1
7
5
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1
7
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C
1
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8
N
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7
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8
0
G
1
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1
8
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1
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8
5
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1
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2
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2
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A
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2
7
[1]1icf.a PAVHPGSFR-QCYGSIGYCW-VPNTRSRGHH230 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1mhw.b bp4Cdar,bp4CdarYpea85 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2nqd.b na,NPTTGFAW-K-YFPPDSKLLGAGGTE-TYMRPW-RFT270 . . . . . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2vhs.a none . . . . . . A S Y . . . . . . . . . . . . . . . . . . S S L N . A . . . .
[1]2xu3.a btb,xu348 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2xu4.a djt35 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2xu5.a xu535 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2yj2.a yj235 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2yj8.a yj835 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2yj9.a yj938 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2yjc.a 42435 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3bc3.a opt60 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3h89.a nsx71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3h8b.a nsy70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3h8b.c nsy,nsy140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3h8c.a nsz53 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3hha.a now,pg441 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3hha.b now,pge38 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3hha.c now28 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3hwn.b bd334 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3iv2.a none . . . . . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3k24.a QLA22 . . . . . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3kse.a MIPGGLS-IVDKV-TQVVAGTNY-FKSL-L192 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3of8.a i0y39 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3of9.a i0x38 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4axl.a zn1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4axm.i v6529 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5f02.a 5t938 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5i4h.b none - - - - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . .
[1]5mae.a 7kn27 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5maj.a 7kh30 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5mqy.a gh429 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]1cjl.a none . . . . . . . S . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[3]1cs8.a none . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Site contact map

[download in TSV format]
   
PDB.ch
A1
W
3
2
H
3
6
R
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7
8
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7
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9
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9
P
1
0
0
N
1
3
1
Q
1
3
2
G
1
3
3
Q
1
3
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C
1
3
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G
1
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S
1
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C
1
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1
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1
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1
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1
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1
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1
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1
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1
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1
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1
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1
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1
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2
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1
G
2
5
2
H
2
5
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2
5
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2
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7
F
2
5
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K
2
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0
S
2
7
1
E
2
7
2
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2
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3
M
2
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2
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3
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2
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9
[1]1icf.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . * . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1mhw.b - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . csw . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]2nqd.b - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . A . . . . . . . . . . . . . . . . . * . * . . . . . . . . . . . . .
[1]2vhs.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . A S Y . . . . . . . . . . . . . . . . . . * . . S S L N . A . . . . .
[1]2xu3.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . * . * . . . . . . . . . . . . .
[1]2xu4.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . * . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]2xu5.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . * . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]2yj2.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . * . * . . . . . . . . . . . . .
[1]2yj8.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . * . * . . . . . . . . . . . . .
[1]2yj9.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]2yjc.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]3bc3.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . csw . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3h89.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]3h8b.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]3h8b.c - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]3h8c.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . csw . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]3hha.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . * . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]3hha.b - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . * . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]3hha.c - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . * . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3hwn.b - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . * . . . * . . . . . . . . . . . . . . . . . . . * . . . * . . . . . . . . .
[1]3iv2.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . * . . . A . . . . . . . . . . . . . . . . . . . * . . * . . * . . . . . . .
[1]3k24.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . * . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3kse.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . sch . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3of8.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . * * * . . . . . . . . . . . . .
[1]3of9.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . * . * . . . . . . . . . . . . .
[1]4axl.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . * . * . . . * . * . . . . . . .
[1]4axm.i - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . * . * . . . . . . . . . . . . .
[1]5f02.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . * . * . . . . . . . . . . . . .
[1]5i4h.b - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . * * . . . . . . . . . . . . .
[1]5mae.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . * . * . . . . . . . . . . . . .
[1]5maj.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . * . * . . . . . . . . . . . . .
[1]5mqy.a - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . * . * . . . . . . . . . . . . .
[2]1cjl.a . . . . * . . * * . . * * . . * . . * * . . * * . . . . * * * * * * * * * * * * * * * * * L * * * * . . . . . . . . S . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[3]1cs8.a . . * . * . . . * . . * * * . * . . * * . . * * . . . . * . * * * * * * * * * * * * * * * * * * * . . . . . * . . . ocs . . . . . . . . . . . . . . . . . . * * . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X X X X X  clash
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Pocket-ligand steric compatibility

Ligands (x) vs pockets (y) colored by number of steric clashes

zoom: [−] [+]; [view as image]; [download as text]

pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
1icf.a:PAVHPGSFR-QCYGSIGYCW-VPNTRSRGHH
1mhw.b:bp4Cdar,bp4CdarYpea
2nqd.b:NPTTGFAW-K-YFPPDSKLLGAGGTE-TYMRPW-RFT,na
2vhs.a is apo
2xu3.a:btb,xu3
2xu4.a:djt
2xu5.a:xu5
2yj2.a:yj2
2yj8.a:yj8
2yj9.a:yj9
2yjc.a:424
3bc3.a:opt
3h89.a:nsx
3h8b.a:nsy
3h8b.c:nsy
3h8c.a:nsz
3hha.a:now,pg4
3hha.b:now,pge
3hha.c:now
3hwn.b:bd3
3iv2.a is apo
3k24.a:QLA
3kse.a:MIPGGLS-IVDKV-TQVVAGTNY-FKSL-L
3of8.a:i0y
3of9.a:i0x
4axl.a:zn
4axm.i:v65
5f02.a:5t9
5i4h.b is apo
5mae.a:7kn
5maj.a:7kh
5mqy.a:gh4
1cjl.a is apo
1cs8.a is apo
[1] 1icf.a
0.1
0.2 1.0 - 0.6 0.5 0.6 0.7 0.5 0.5 0.7 0.3 0.9 0.7 1.8 0.3 0.5 0.4 0.4 0.4 - 0.3 1.6 1.0 0.8 0 0.5 0.5 - 0.7 0.7 0.6 - -
[1] 1mhw.b 3.6
0
0.9 - 1.5 1.2 1.6 1.7 1.8 1.7 1.7 0 1.0 0.6 0.5 0.2 1.5 1.5 1.5 1.3 - 1.1 0.8 1.7 1.7 0.1 1.6 1.7 - 1.7 1.6 1.5 - -
[1] 2nqd.b 2.1 0.3
0
- 0.3 0.3 0.3 0.3 0.4 0.3 0.3 0.2 3.3 2.9 2.9 0.4 0.2 0.1 0.1 0.1 - 0 0.7 0.3 0.5 0.2 0.1 0.4 - 0.1 0.2 0.1 - -
[1] 2vhs.a 2.4 0.5 0.8
-
0.4 0.4 0.5 0.4 0.4 0.4 0.4 0.2 0.8 0.4 0.8 0.5 0.2 0.1 0.1 0.1 - 0.1 0.6 0.3 0.6 0.4 0.1 0.4 - 0.5 0.2 0.2 - -
[1] 2xu3.a 4.0 0.2 1.6 -
0.4
0.4 0.6 0.7 0.7 0.4 0.7 0.1 2.6 1.3 1.3 0.3 0.6 0.6 0.4 0.7 - 0.4 0.5 0.8 0.7 0.2 0.7 0.7 - 0.8 0.6 0.6 - -
[1] 2xu4.a 3.0 1.0 2.4 - 0.9
0.4
0.6 0.6 0.7 0.6 0.6 0.5 1.0 0.9 1.2 0.9 0.7 0.6 0.6 0.6 - 0.4 1.1 0.8 0.7 0.1 0.7 0.8 - 0.8 0.7 0.7 - -
[1] 2xu5.a 2.6 0.2 1.8 - 0.5 0.4
0.4
0.5 0.5 0.4 0.5 0.1 0.8 0.4 1.0 0.3 0.4 0.4 0.4 0.6 - 0.3 1.1 0.9 0.8 0.1 0.7 0.5 - 0.8 0.6 0.6 - -
[1] 2yj2.a 3.7 0.4 1.6 - 0.4 0.4 0.6
0.4
0.5 0.4 0.4 0.3 2.0 1.0 0.9 0.6 0.6 0.6 0.4 0.6 - 0.4 0.4 0.8 0.8 0.1 0.7 0.5 - 0.6 0.6 0.6 - -
[1] 2yj8.a 3.8 0.5 1.6 - 0.4 0.4 0.6 0.4
0.4
0.4 0.4 0.2 3.0 1.9 1.7 0.6 0.6 0.6 0.4 0.6 - 0.3 0.8 0.8 0.7 0.1 0.7 0.4 - 0.7 0.6 0.6 - -
[1] 2yj9.a 3.5 0.2 1.3 - 0.4 0.4 0.6 0.6 0.7
0.4
0.6 0.2 0.8 0.4 0.2 0.3 0.6 0.6 0.4 0.6 - 0.4 0.6 0.7 0.7 0.1 0.7 0.7 - 0.7 0.6 0.6 - -
[1] 2yjc.a 3.3 0.3 1.3 - 0.4 0.4 0.4 0.4 0.4 0.4
0.4
0.1 1.2 0.7 0.9 0.3 0.6 0.4 0.4 0.6 - 0.4 0.6 0.8 0.7 0.2 0.7 0.4 - 0.6 0.6 0.6 - -
[1] 3bc3.a 2.3 0.1 0.8 - 1.6 1.5 1.8 1.7 1.7 1.5 1.7
0
0.6 0.4 0.8 0.3 1.5 1.5 1.5 1.6 - 1.1 0.8 1.9 1.9 0.1 1.7 1.6 - 1.6 1.7 1.5 - -
[1] 3h89.a 1.8 0.1 0.7 - 0.7 0.7 0.7 0.7 0.7 0.7 0.7 0
0
0.1 0 0.2 0.6 0.6 0.6 0.6 - 0.3 0.5 0.8 0.6 0.1 0.6 0.7 - 0.7 0.6 0.6 - -
[1] 3h8b.a 2.7 0.4 0.8 - 0.6 0.6 0.6 0.6 0.7 0.6 0.8 0 0.5
0
0.1 0.1 0.7 0.4 0.4 0.7 - 0.3 0.6 0.8 0.7 0.1 0.7 0.6 - 0.6 0.6 0.6 - -
[1] 3h8b.c 2.7 0.1 0.9 - 0.6 0.5 0.7 0.7 0.7 0.7 0.7 0 0.5 0.1
0
0.3 0.6 0.6 0.3 0.6 - 0.3 0.5 0.8 0.7 0.1 0.7 0.7 - 0.7 0.6 0.6 - -
[1] 3h8c.a 3.8 0.1 2.2 - 1.5 1.3 1.7 1.8 1.8 1.8 1.5 0 0.7 0.3 0.7
0.1
1.4 1.4 1.2 1.7 - 1.1 1.3 1.7 1.6 0.1 1.6 1.8 - 1.6 1.6 1.4 - -
[1] 3hha.a 1.7 0.1 1.7 - 1.3 0.5 0.5 0.5 0.5 0.5 0.5 0 0.5 0.7 1.9 0.3
0.4
0.4 0.4 0.4 - 0.3 1.4 0.6 0.7 0.1 0.7 0.5 - 0.7 0.6 0.4 - -
[1] 3hha.b 1.7 0.2 0.8 - 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0 1.1 0.7 1.2 0.3 0.4
0.4
0.4 0.4 - 0.3 1.4 0.6 0.7 0.2 0.7 0.5 - 0.7 0.6 0.4 - -
[1] 3hha.c 1.5 0.2 1.7 - 1.3 0.5 0.5 0.5 0.5 0.5 0.5 0 0.3 0.7 2.0 0.3 0.4 0.4
0.4
0.4 - 0.3 1.4 0.6 0.5 0.1 0.5 0.5 - 0.7 0.4 0.4 - -
[1] 3hwn.b 3.0 0.8 1.3 - 1.2 0.5 0.5 0.5 0.5 0.5 0.5 0 0.2 1.9 2.4 0.1 0.6 0.5 0.4
0.6
- 0.4 1.7 0.5 1.0 0.2 0.6 0.5 - 0.9 0.6 0.4 - -
[1] 3iv2.a 5.3 1.1 2.5 - 1.7 1.3 1.4 1.3 1.4 1.3 1.1 1.0 2.3 2.7 3.7 1.0 0.5 0.4 0.5 0.5
-
0.5 2.4 1.0 1.0 0.4 0.6 1.2 - 1.1 0.8 0.8 - -
[1] 3k24.a 1.4 0.2 1.6 - 0.7 0.2 0.3 0.1 0.1 0.1 0.1 0 0.7 0.4 1.5 0.3 0 0.1 0 0.1 -
0
1.7 0.4 0.4 0.4 0.1 0.1 - 0.2 0.1 0.1 - -
[1] 3kse.a 2.2 1.3 0.7 - 1.6 1.3 1.6 1.6 1.6 1.5 1.7 0.6 2.2 1.7 2.0 1.2 1.4 1.5 1.4 1.9 - 1.3
0
2.2 1.9 1.3 1.4 1.6 - 1.5 1.4 1.5 - -
[1] 3of8.a 2.8 0.1 0.7 - 0.5 0.5 0.5 0.7 0.5 0.5 0.5 0.1 2.1 1.6 1.7 0.4 0.4 0.4 0.4 0.5 - 0.4 0.7
0.7
0.6 0.1 0.7 0.5 - 0.7 0.6 0.4 - -
[1] 3of9.a 3.8 0.3 1.1 - 0.5 0.6 0.6 0.6 0.6 0.6 0.6 0.1 2.9 2.0 2.0 0.5 0.4 0.4 0.4 0.4 - 0.3 0.4 0.6
0.4
0 0.5 0.6 - 0.8 0.5 0.4 - -
[1] 4axl.a 6.9 0.7 1.8 - 1.6 1.5 1.5 1.5 1.5 1.4 1.6 1.0 3.0 1.9 1.7 1.0 0.8 0.7 0.7 0.8 - 0.5 1.8 1.2 1.1
0.1
0.8 1.4 - 1.5 1.1 1.4 - -
[1] 4axm.i 3.1 0.3 1.0 - 0.5 0.4 0.5 0.5 0.5 0.4 0.5 0 2.1 1.3 1.4 0.4 0.4 0.3 0.3 0.5 - 0.3 0.6 0.6 0.7 0.1
0.3
0.5 - 0.6 0.4 0.4 - -
[1] 5f02.a 3.5 0.4 1.4 - 0.4 0.4 0.6 0.4 0.4 0.4 0.6 0.1 2.3 0.9 1.4 0.4 0.6 0.6 0.4 0.7 - 0.4 0.6 0.7 0.7 0.2 0.7
0.4
- 0.7 0.6 0.6 - -
[1] 5i4h.b 2.8 0.2 0.6 - 0.1 0.1 0.2 0.2 0.1 0.2 0.1 0.1 0.5 0.8 0.7 0 0.2 0 0 0 - 0 0.4 0.2 0.2 0.4 0 0.1
-
0.1 0.1 0 - -
[1] 5mae.a 3.5 0.3 2.0 - 0.6 0.3 0.5 0.5 0.4 0.5 0.6 0 1.4 0.6 0.8 0.3 0.3 0.3 0.3 0.5 - 0.3 0.9 0.6 0.6 0.4 0.3 0.5 -
0.6
0.4 0.4 - -
[1] 5maj.a 3.4 0.5 1.8 - 0.6 0.5 0.6 0.6 0.7 0.6 0.7 0.1 1.5 0.8 1.0 0.4 0.5 0.5 0.4 0.5 - 0.3 0.4 0.6 0.8 0.4 0.5 0.7 - 0.6
0.4
0.5 - -
[1] 5mqy.a 3.3 0.2 1.7 - 0.5 0.5 0.5 0.5 0.6 0.5 0.5 0 1.4 0.7 0.8 0.3 0.4 0.4 0.4 0.4 - 0.4 0.8 0.5 0.5 0.4 0.7 0.6 - 0.7 0.6
0.4
- -
[2] 1cjl.a 83 36 92 - 22 17 17 18 18 18 18 32 29 28 48 26 23 22 16 16 - 15 70 21 19 0.8 14 19 - 10 13 14
-
-
[3] 1cs8.a 82 39 87 - 23 18 18 18 18 18 17 35 35 32 52 31 30 27 20 19 - 16 68 24 22 0.4 14 18 - 12 14 16 -
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (3 clusters)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
1icf.a
1mhw.b
2nqd.b
2vhs.a
2xu3.a
2xu4.a
2xu5.a
2yj2.a
2yj8.a
2yj9.a
2yjc.a
3bc3.a
3h89.a
3h8b.a
3h8b.c
3h8c.a
3hha.a
3hha.b
3hha.c
3hwn.b
3iv2.a
3k24.a
3kse.a
3of8.a
3of9.a
4axl.a
4axm.i
5f02.a
5i4h.b
5mae.a
5maj.a
5mqy.a
1cjl.a
1cs8.a
[1] 1icf.a
0
.07 .07 .06 .08 .07 .05 .08 .09 .07 .07 .06 .05 .06 .06 .07 .03 .05 .03 .04 .08 .04 .05 .07 .08 .11 .08 .08 .08 .08 .07 .07 1.3 1.3
[1] 1mhw.b .07
0
.06 .04 .05 .04 .04 .04 .05 .03 .04 .03 .04 .03 .03 .03 .05 .04 .05 .06 .09 .06 .04 .04 .04 .08 .04 .05 .05 .05 .04 .04 1.3 1.3
[1] 2nqd.b .07 .06
0
.05 .04 .07 .06 .05 .04 .06 .06 .06 .05 .05 .06 .08 .06 .04 .06 .07 .10 .05 .06 .05 .05 .09 .05 .05 .06 .05 .05 .05 1.3 1.4
[1] 2vhs.a .06 .04 .05
0
.05 .04 .03 .04 .05 .03 .03 .05 .03 .03 .02 .05 .04 .03 .04 .05 .07 .04 .05 .04 .05 .08 .04 .04 .03 .04 .03 .03 1.3 1.3
[1] 2xu3.a .08 .05 .04 .05
0
.03 .04 .03 .02 .03 .03 .07 .05 .05 .04 .06 .06 .04 .06 .08 .10 .07 .07 .03 .02 .08 .03 .02 .05 .03 .03 .03 1.3 1.3
[1] 2xu4.a .07 .04 .07 .04 .03
0
.02 .03 .04 .02 .02 .06 .04 .04 .04 .04 .04 .03 .04 .06 .08 .05 .06 .03 .04 .09 .03 .03 .05 .03 .03 .02 1.3 1.3
[1] 2xu5.a .05 .04 .06 .03 .04 .02
0
.05 .05 .03 .03 .04 .03 .03 .02 .04 .02 .02 .03 .05 .07 .03 .05 .04 .05 .09 .04 .05 .04 .05 .04 .03 1.3 1.3
[1] 2yj2.a .08 .04 .05 .04 .03 .03 .05
0
.02 .02 .02 .07 .05 .04 .04 .05 .06 .04 .06 .07 .10 .07 .07 .02 .02 .07 .02 .02 .05 .02 .02 .02 1.3 1.3
[1] 2yj8.a .09 .05 .04 .05 .02 .04 .05 .02
0
.03 .03 .07 .05 .05 .04 .07 .06 .05 .06 .08 .11 .07 .07 .03 .02 .08 .03 .02 .06 .03 .03 .03 1.3 1.3
[1] 2yj9.a .07 .03 .06 .03 .03 .02 .03 .02 .03
0
.02 .05 .03 .03 .02 .04 .04 .03 .05 .06 .08 .06 .05 .03 .03 .08 .02 .03 .04 .03 .02 .02 1.3 1.3
[1] 2yjc.a .07 .04 .06 .03 .03 .02 .03 .02 .03 .02
0
.05 .04 .03 .03 .04 .04 .03 .05 .07 .08 .05 .06 .02 .04 .08 .02 .01 .04 .02 .01 .01 1.3 1.3
[1] 3bc3.a .06 .03 .06 .05 .07 .06 .04 .07 .07 .05 .05
0
.03 .03 .04 .03 .04 .04 .04 .06 .10 .05 .02 .05 .07 .10 .05 .07 .05 .06 .06 .06 1.3 1.3
[1] 3h89.a .05 .04 .05 .03 .05 .04 .03 .05 .05 .03 .04 .03
0
.02 .01 .05 .02 .02 .02 .04 .09 .03 .04 .04 .05 .09 .04 .05 .04 .04 .04 .04 1.3 1.3
[1] 3h8b.a .06 .03 .05 .03 .05 .04 .03 .04 .05 .03 .03 .03 .02
0
.01 .04 .03 .03 .03 .06 .09 .04 .05 .03 .05 .08 .04 .05 .03 .04 .03 .03 1.3 1.3
[1] 3h8b.c .06 .03 .06 .02 .04 .04 .02 .04 .04 .02 .03 .04 .01 .01
0
.04 .03 .03 .03 .05 .08 .04 .05 .03 .04 .08 .03 .04 .03 .03 .03 .03 1.3 1.3
[1] 3h8c.a .07 .03 .08 .05 .06 .04 .04 .05 .07 .04 .04 .03 .05 .04 .04
0
.05 .05 .05 .07 .09 .06 .05 .05 .06 .11 .04 .05 .05 .04 .04 .04 1.3 1.3
[1] 3hha.a .03 .05 .06 .04 .06 .04 .02 .06 .06 .04 .04 .04 .02 .03 .03 .05
0
.02 .01 .03 .07 .02 .05 .05 .06 .10 .05 .05 .05 .05 .05 .04 1.3 1.3
[1] 3hha.b .05 .04 .04 .03 .04 .03 .02 .04 .05 .03 .03 .04 .02 .03 .03 .05 .02
0
.02 .04 .08 .03 .05 .04 .05 .08 .04 .04 .04 .04 .03 .03 1.3 1.3
[1] 3hha.c .03 .05 .06 .04 .06 .04 .03 .06 .06 .05 .05 .04 .02 .03 .03 .05 .01 .02
0
.03 .08 .02 .05 .05 .06 .10 .06 .06 .05 .06 .05 .05 1.3 1.3
[1] 3hwn.b .04 .06 .07 .05 .08 .06 .05 .07 .08 .06 .07 .06 .04 .06 .05 .07 .03 .04 .03
0
.09 .04 .07 .08 .08 .11 .07 .08 .07 .07 .07 .07 1.3 1.3
[1] 3iv2.a .08 .09 .10 .07 .10 .08 .07 .10 .11 .08 .08 .10 .09 .09 .08 .09 .07 .08 .08 .09
0
.07 .11 .09 .11 .12 .09 .09 .08 .09 .08 .08 1.3 1.4
[1] 3k24.a .04 .06 .05 .04 .07 .05 .03 .07 .07 .06 .05 .05 .03 .04 .04 .06 .02 .03 .02 .04 .07
0
.06 .06 .07 .11 .06 .06 .04 .06 .05 .05 1.3 1.3
[1] 3kse.a .05 .04 .06 .05 .07 .06 .05 .07 .07 .05 .06 .02 .04 .05 .05 .05 .05 .05 .05 .07 .11 .06
0
.06 .08 .10 .06 .07 .07 .07 .06 .06 1.3 1.3
[1] 3of8.a .07 .04 .05 .04 .03 .03 .04 .02 .03 .03 .02 .05 .04 .03 .03 .05 .05 .04 .05 .08 .09 .06 .06
0
.03 .07 .02 .02 .04 .02 .03 .02 1.3 1.3
[1] 3of9.a .08 .04 .05 .05 .02 .04 .05 .02 .02 .03 .04 .07 .05 .05 .04 .06 .06 .05 .06 .08 .11 .07 .08 .03
0
.08 .03 .02 .06 .04 .03 .03 1.3 1.3
[1] 4axl.a .11 .08 .09 .08 .08 .09 .09 .07 .08 .08 .08 .10 .09 .08 .08 .11 .10 .08 .10 .11 .12 .11 .10 .07 .08
0
.07 .07 .09 .08 .08 .08 1.4 1.4
[1] 4axm.i .08 .04 .05 .04 .03 .03 .04 .02 .03 .02 .02 .05 .04 .04 .03 .04 .05 .04 .06 .07 .09 .06 .06 .02 .03 .07
0
.02 .04 .02 .01 .02 1.3 1.3
[1] 5f02.a .08 .05 .05 .04 .02 .03 .05 .02 .02 .03 .01 .07 .05 .05 .04 .05 .05 .04 .06 .08 .09 .06 .07 .02 .02 .07 .02
0
.05 .02 .02 .02 1.3 1.3
[1] 5i4h.b .08 .05 .06 .03 .05 .05 .04 .05 .06 .04 .04 .05 .04 .03 .03 .05 .05 .04 .05 .07 .08 .04 .07 .04 .06 .09 .04 .05
0
.04 .04 .03 1.3 1.3
[1] 5mae.a .08 .05 .05 .04 .03 .03 .05 .02 .03 .03 .02 .06 .04 .04 .03 .04 .05 .04 .06 .07 .09 .06 .07 .02 .04 .08 .02 .02 .04
0
.01 .01 1.3 1.3
[1] 5maj.a .07 .04 .05 .03 .03 .03 .04 .02 .03 .02 .01 .06 .04 .03 .03 .04 .05 .03 .05 .07 .08 .05 .06 .03 .03 .08 .01 .02 .04 .01
0
.01 1.3 1.3
[1] 5mqy.a .07 .04 .05 .03 .03 .02 .03 .02 .03 .02 .01 .06 .04 .03 .03 .04 .04 .03 .05 .07 .08 .05 .06 .02 .03 .08 .02 .02 .03 .01 .01
0
1.3 1.3
[2] 1cjl.a 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.4 1.3 1.3 1.3 1.3 1.3 1.3
0
.36
[3] 1cs8.a 1.3 1.3 1.4 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.4 1.3 1.3 1.3 1.3 1.4 1.3 1.3 1.3 1.3 1.3 1.3 .36
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.0 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1icf.a
1mhw.b
2nqd.b
2vhs.a
2xu3.a
2xu4.a
2xu5.a
2yj2.a
2yj8.a
2yj9.a
2yjc.a
3bc3.a
3h89.a
3h8b.a
3h8b.c
3h8c.a
3hha.a
3hha.b
3hha.c
3hwn.b
3iv2.a
3k24.a
3kse.a
3of8.a
3of9.a
4axl.a
4axm.i
5f02.a
5i4h.b
5mae.a
5maj.a
5mqy.a
1cjl.a
1cs8.a
[1] 1icf.a
0
0.4 0.4 0.3 0.7 0.5 0.5 0.5 0.4 0.4 0.5 0.3 0.5 0.6 0.5 0.5 0.3 0.5 0.3 0.4 1.2 0.3 0.3 0.5 0.5 0.7 0.5 0.5 0.6 0.5 0.4 0.5 0.4 0.5
[1] 1mhw.b 0.4
0
0.2 0.5 0.4 0.4 0.4 0.3 0.3 0.3 0.3 0.3 0.3 0.4 0.4 0.4 0.4 0.3 0.3 0.6 1.4 0.3 0.4 0.3 0.4 0.8 0.3 0.3 0.4 0.3 0.2 0.2 0.4 0.4
[1] 2nqd.b 0.4 0.2
0
0.5 0.5 0.4 0.3 0.3 0.3 0.3 0.3 0.3 0.4 0.5 0.4 0.4 0.4 0.3 0.3 0.6 1.4 0.3 0.4 0.3 0.5 0.8 0.4 0.3 0.4 0.4 0.3 0.3 0.5 0.4
[1] 2vhs.a 0.3 0.5 0.5
0
0.7 0.5 0.5 0.5 0.5 0.5 0.5 0.4 0.5 0.6 0.5 0.5 0.4 0.5 0.4 0.5 1.2 0.4 0.4 0.5 0.6 0.7 0.5 0.5 0.7 0.5 0.5 0.5 0.5 0.6
[1] 2xu3.a 0.7 0.4 0.5 0.7
0
0.3 0.4 0.3 0.3 0.3 0.4 0.5 0.4 0.4 0.4 0.5 0.5 0.4 0.6 0.7 1.3 0.5 0.6 0.3 0.3 0.8 0.5 0.4 0.4 0.5 0.4 0.4 0.5 0.6
[1] 2xu4.a 0.5 0.4 0.4 0.5 0.3
0
0.3 0.2 0.2 0.2 0.3 0.4 0.3 0.4 0.4 0.4 0.4 0.3 0.4 0.6 1.3 0.4 0.5 0.2 0.3 0.8 0.4 0.3 0.4 0.4 0.3 0.3 0.4 0.5
[1] 2xu5.a 0.5 0.4 0.3 0.5 0.4 0.3
0
0.2 0.2 0.2 0.3 0.4 0.4 0.5 0.5 0.4 0.5 0.3 0.4 0.6 1.3 0.4 0.4 0.4 0.4 0.8 0.4 0.3 0.4 0.4 0.3 0.3 0.5 0.5
[1] 2yj2.a 0.5 0.3 0.3 0.5 0.3 0.2 0.2
0
0.1 0.1 0.2 0.3 0.3 0.4 0.4 0.4 0.4 0.2 0.3 0.6 1.4 0.3 0.4 0.3 0.4 0.8 0.3 0.2 0.3 0.3 0.2 0.2 0.4 0.4
[1] 2yj8.a 0.4 0.3 0.3 0.5 0.3 0.2 0.2 0.1
0
0.1 0.2 0.3 0.3 0.4 0.3 0.4 0.4 0.2 0.3 0.6 1.3 0.3 0.4 0.3 0.3 0.8 0.3 0.2 0.3 0.3 0.2 0.2 0.4 0.4
[1] 2yj9.a 0.4 0.3 0.3 0.5 0.3 0.2 0.2 0.1 0.1
0
0.2 0.3 0.3 0.4 0.4 0.4 0.4 0.2 0.3 0.6 1.3 0.3 0.5 0.2 0.3 0.8 0.3 0.2 0.3 0.3 0.2 0.2 0.4 0.4
[1] 2yjc.a 0.5 0.3 0.3 0.5 0.4 0.3 0.3 0.2 0.2 0.2
0
0.4 0.3 0.4 0.4 0.4 0.4 0.3 0.3 0.6 1.4 0.4 0.5 0.3 0.4 0.8 0.4 0.1 0.3 0.3 0.3 0.2 0.5 0.4
[1] 3bc3.a 0.3 0.3 0.3 0.4 0.5 0.4 0.4 0.3 0.3 0.3 0.4
0
0.3 0.4 0.4 0.3 0.4 0.3 0.3 0.5 1.2 0.3 0.3 0.4 0.4 0.7 0.3 0.4 0.5 0.4 0.3 0.3 0.4 0.4
[1] 3h89.a 0.5 0.3 0.4 0.5 0.4 0.3 0.4 0.3 0.3 0.3 0.3 0.3
0
0.2 0.2 0.4 0.3 0.3 0.4 0.5 1.2 0.3 0.5 0.3 0.3 0.7 0.4 0.3 0.4 0.3 0.3 0.3 0.4 0.4
[1] 3h8b.a 0.6 0.4 0.5 0.6 0.4 0.4 0.5 0.4 0.4 0.4 0.4 0.4 0.2
0
0.2 0.4 0.4 0.4 0.5 0.6 1.2 0.4 0.6 0.4 0.3 0.7 0.4 0.4 0.5 0.4 0.4 0.3 0.5 0.5
[1] 3h8b.c 0.5 0.4 0.4 0.5 0.4 0.4 0.5 0.4 0.3 0.4 0.4 0.4 0.2 0.2
0
0.3 0.4 0.4 0.5 0.5 1.2 0.4 0.6 0.4 0.3 0.7 0.4 0.4 0.5 0.4 0.4 0.3 0.4 0.4
[1] 3h8c.a 0.5 0.4 0.4 0.5 0.5 0.4 0.4 0.4 0.4 0.4 0.4 0.3 0.4 0.4 0.3
0
0.4 0.4 0.4 0.6 1.2 0.4 0.5 0.4 0.4 0.7 0.4 0.4 0.5 0.4 0.4 0.3 0.4 0.4
[1] 3hha.a 0.3 0.4 0.4 0.4 0.5 0.4 0.5 0.4 0.4 0.4 0.4 0.4 0.3 0.4 0.4 0.4
0
0.4 0.3 0.4 1.2 0.3 0.4 0.4 0.4 0.6 0.4 0.4 0.5 0.4 0.4 0.4 0.4 0.5
[1] 3hha.b 0.5 0.3 0.3 0.5 0.4 0.3 0.3 0.2 0.2 0.2 0.3 0.3 0.3 0.4 0.4 0.4 0.4
0
0.3 0.6 1.4 0.3 0.5 0.3 0.4 0.8 0.4 0.2 0.4 0.3 0.2 0.2 0.4 0.4
[1] 3hha.c 0.3 0.3 0.3 0.4 0.6 0.4 0.4 0.3 0.3 0.3 0.3 0.3 0.4 0.5 0.5 0.4 0.3 0.3
0
0.4 1.3 0.2 0.4 0.4 0.5 0.7 0.4 0.3 0.4 0.4 0.3 0.3 0.4 0.5
[1] 3hwn.b 0.4 0.6 0.6 0.5 0.7 0.6 0.6 0.6 0.6 0.6 0.6 0.5 0.5 0.6 0.5 0.6 0.4 0.6 0.4
0
1.1 0.5 0.5 0.6 0.6 0.7 0.6 0.6 0.7 0.6 0.6 0.6 0.5 0.6
[1] 3iv2.a 1.2 1.4 1.4 1.2 1.3 1.3 1.3 1.4 1.3 1.3 1.4 1.2 1.2 1.2 1.2 1.2 1.2 1.4 1.3 1.1
0
1.2 1.2 1.4 1.2 1.0 1.3 1.4 1.8 1.4 1.4 1.3 1.2 1.3
[1] 3k24.a 0.3 0.3 0.3 0.4 0.5 0.4 0.4 0.3 0.3 0.3 0.4 0.3 0.3 0.4 0.4 0.4 0.3 0.3 0.2 0.5 1.2
0
0.4 0.4 0.4 0.7 0.4 0.4 0.4 0.3 0.3 0.3 0.4 0.4
[1] 3kse.a 0.3 0.4 0.4 0.4 0.6 0.5 0.4 0.4 0.4 0.5 0.5 0.3 0.5 0.6 0.6 0.5 0.4 0.5 0.4 0.5 1.2 0.4
0
0.5 0.6 0.7 0.4 0.5 0.6 0.5 0.4 0.5 0.5 0.6
[1] 3of8.a 0.5 0.3 0.3 0.5 0.3 0.2 0.4 0.3 0.3 0.2 0.3 0.4 0.3 0.4 0.4 0.4 0.4 0.3 0.4 0.6 1.4 0.4 0.5
0
0.3 0.8 0.4 0.3 0.3 0.3 0.3 0.2 0.4 0.4
[1] 3of9.a 0.5 0.4 0.5 0.6 0.3 0.3 0.4 0.4 0.3 0.3 0.4 0.4 0.3 0.3 0.3 0.4 0.4 0.4 0.5 0.6 1.2 0.4 0.6 0.3
0
0.7 0.4 0.4 0.5 0.4 0.4 0.3 0.4 0.5
[1] 4axl.a 0.7 0.8 0.8 0.7 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.7 0.7 0.7 0.7 0.7 0.6 0.8 0.7 0.7 1.0 0.7 0.7 0.8 0.7
0
0.7 0.8 1.1 0.8 0.8 0.8 0.7 0.8
[1] 4axm.i 0.5 0.3 0.4 0.5 0.5 0.4 0.4 0.3 0.3 0.3 0.4 0.3 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.6 1.3 0.4 0.4 0.4 0.4 0.7
0
0.4 0.5 0.4 0.3 0.3 0.4 0.4
[1] 5f02.a 0.5 0.3 0.3 0.5 0.4 0.3 0.3 0.2 0.2 0.2 0.1 0.4 0.3 0.4 0.4 0.4 0.4 0.2 0.3 0.6 1.4 0.4 0.5 0.3 0.4 0.8 0.4
0
0.3 0.3 0.2 0.2 0.5 0.4
[1] 5i4h.b 0.6 0.4 0.4 0.7 0.4 0.4 0.4 0.3 0.3 0.3 0.3 0.5 0.4 0.5 0.5 0.5 0.5 0.4 0.4 0.7 1.8 0.4 0.6 0.3 0.5 1.1 0.5 0.3
0
0.4 0.4 0.3 0.5 0.4
[1] 5mae.a 0.5 0.3 0.4 0.5 0.5 0.4 0.4 0.3 0.3 0.3 0.3 0.4 0.3 0.4 0.4 0.4 0.4 0.3 0.4 0.6 1.4 0.3 0.5 0.3 0.4 0.8 0.4 0.3 0.4
0
0.2 0.2 0.4 0.4
[1] 5maj.a 0.4 0.2 0.3 0.5 0.4 0.3 0.3 0.2 0.2 0.2 0.3 0.3 0.3 0.4 0.4 0.4 0.4 0.2 0.3 0.6 1.4 0.3 0.4 0.3 0.4 0.8 0.3 0.2 0.4 0.2
0
0.2 0.4 0.4
[1] 5mqy.a 0.5 0.2 0.3 0.5 0.4 0.3 0.3 0.2 0.2 0.2 0.2 0.3 0.3 0.3 0.3 0.3 0.4 0.2 0.3 0.6 1.3 0.3 0.5 0.2 0.3 0.8 0.3 0.2 0.3 0.2 0.2
0
0.4 0.4
[2] 1cjl.a 0.4 0.4 0.5 0.5 0.5 0.4 0.5 0.4 0.4 0.4 0.5 0.4 0.4 0.5 0.4 0.4 0.4 0.4 0.4 0.5 1.2 0.4 0.5 0.4 0.4 0.7 0.4 0.5 0.5 0.4 0.4 0.4
0
1.7
[3] 1cs8.a 0.5 0.4 0.4 0.6 0.6 0.5 0.5 0.4 0.4 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.5 0.4 0.5 0.6 1.3 0.4 0.6 0.4 0.5 0.8 0.4 0.4 0.4 0.4 0.4 0.4 1.7
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.4 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1icf.a
1mhw.b
2nqd.b
2vhs.a
2xu3.a
2xu4.a
2xu5.a
2yj2.a
2yj8.a
2yj9.a
2yjc.a
3bc3.a
3h89.a
3h8b.a
3h8b.c
3h8c.a
3hha.a
3hha.b
3hha.c
3hwn.b
3iv2.a
3k24.a
3kse.a
3of8.a
3of9.a
4axl.a
4axm.i
5f02.a
5i4h.b
5mae.a
5maj.a
5mqy.a
1cjl.a
1cs8.a
[1] 1icf.a
0
0.9 1.0 0.8 1.1 1.0 0.9 1.1 1.1 1.0 1.1 0.8 0.9 1.0 0.9 1.0 0.9 0.9 0.8 0.9 1.8 0.8 1.2 1.1 1.1 1.3 1.1 1.1 1.4 1.1 1.0 1.0 1.0 1.2
[1] 1mhw.b 0.9
0
0.9 0.8 0.9 0.8 0.9 0.8 0.8 0.8 0.7 0.8 0.8 0.8 0.8 0.9 1.0 0.8 1.0 1.0 1.9 0.9 1.2 1.0 1.0 1.1 0.9 0.7 1.3 0.7 0.6 0.6 0.9 1.2
[1] 2nqd.b 1.0 0.9
0
1.0 1.0 1.1 1.1 0.9 0.9 0.9 1.0 1.1 1.1 1.1 1.1 1.2 1.1 0.9 1.1 1.1 2.0 0.9 1.1 0.6 0.7 1.2 0.9 0.9 1.4 1.0 1.0 1.0 1.2 1.2
[1] 2vhs.a 0.8 0.8 1.0
0
1.1 0.9 0.8 1.0 1.0 1.0 0.9 0.8 0.8 0.9 0.8 0.8 0.8 0.9 0.8 0.9 1.4 0.8 1.1 1.0 1.0 1.1 1.0 0.9 1.1 0.9 0.8 0.8 0.9 1.2
[1] 2xu3.a 1.1 0.9 1.0 1.1
0
0.8 0.9 0.6 0.6 0.7 0.7 1.0 1.0 0.9 0.9 1.0 1.1 0.8 1.0 1.2 1.9 0.9 1.2 0.9 0.9 1.1 0.7 0.7 1.3 0.8 0.8 0.7 0.8 1.2
[1] 2xu4.a 1.0 0.8 1.1 0.9 0.8
0
0.7 0.8 0.8 0.8 0.7 0.9 0.9 0.9 0.9 0.9 0.9 0.7 0.8 0.9 1.7 0.9 1.2 0.9 0.9 1.2 0.9 0.8 1.1 0.8 0.8 0.7 0.8 1.1
[1] 2xu5.a 0.9 0.9 1.1 0.8 0.9 0.7
0
0.9 0.9 0.9 0.9 0.7 0.7 0.8 0.8 0.7 0.9 0.9 0.8 1.0 1.7 0.9 1.2 1.0 1.0 1.2 1.0 0.8 1.0 0.9 0.8 0.8 0.9 1.2
[1] 2yj2.a 1.1 0.8 0.9 1.0 0.6 0.8 0.9
0
0.3 0.3 0.5 1.0 1.0 1.0 1.0 1.1 1.0 0.8 1.0 1.2 1.9 0.9 1.2 0.8 0.9 1.1 0.6 0.4 1.2 0.6 0.6 0.6 0.9 1.2
[1] 2yj8.a 1.1 0.8 0.9 1.0 0.6 0.8 0.9 0.3
0
0.4 0.5 1.0 1.0 1.0 1.0 1.1 1.0 0.8 1.0 1.2 1.9 0.9 1.2 0.8 0.9 1.1 0.7 0.5 1.3 0.6 0.6 0.6 0.9 1.2
[1] 2yj9.a 1.0 0.8 0.9 1.0 0.7 0.8 0.9 0.3 0.4
0
0.5 1.0 0.9 0.9 0.9 1.0 1.0 0.8 1.0 1.1 1.9 0.8 1.2 0.8 0.9 1.1 0.6 0.5 1.2 0.6 0.7 0.6 0.8 1.1
[1] 2yjc.a 1.1 0.7 1.0 0.9 0.7 0.7 0.9 0.5 0.5 0.5
0
1.0 0.9 0.9 0.9 1.0 1.1 0.8 1.0 1.1 1.9 0.9 1.2 0.9 1.0 1.1 0.8 0.2 1.1 0.4 0.5 0.4 0.9 1.1
[1] 3bc3.a 0.8 0.8 1.1 0.8 1.0 0.9 0.7 1.0 1.0 1.0 1.0
0
0.5 0.5 0.5 0.6 0.9 0.9 0.9 1.1 1.7 0.8 1.2 1.1 1.1 1.2 1.1 0.9 1.1 0.9 0.9 0.8 0.9 1.3
[1] 3h89.a 0.9 0.8 1.1 0.8 1.0 0.9 0.7 1.0 1.0 0.9 0.9 0.5
0
0.3 0.3 0.6 0.9 0.9 0.9 1.1 1.7 0.9 1.3 1.0 1.0 1.3 1.0 0.9 1.2 0.8 0.8 0.8 0.8 1.2
[1] 3h8b.a 1.0 0.8 1.1 0.9 0.9 0.9 0.8 1.0 1.0 0.9 0.9 0.5 0.3
0
0.3 0.6 0.9 0.9 1.0 1.1 1.7 0.9 1.3 1.0 1.0 1.3 1.0 0.9 1.2 0.8 0.8 0.8 0.9 1.3
[1] 3h8b.c 0.9 0.8 1.1 0.8 0.9 0.9 0.8 1.0 1.0 0.9 0.9 0.5 0.3 0.3
0
0.5 0.9 0.9 0.9 1.1 1.6 0.9 1.3 1.0 1.0 1.3 1.0 0.9 1.2 0.8 0.8 0.8 0.8 1.2
[1] 3h8c.a 1.0 0.9 1.2 0.8 1.0 0.9 0.7 1.1 1.1 1.0 1.0 0.6 0.6 0.6 0.5
0
1.0 1.0 0.9 1.1 1.6 1.0 1.3 1.1 1.1 1.2 1.1 0.9 1.2 0.9 0.9 0.8 0.8 1.2
[1] 3hha.a 0.9 1.0 1.1 0.8 1.1 0.9 0.9 1.0 1.0 1.0 1.1 0.9 0.9 0.9 0.9 1.0
0
0.8 0.8 0.7 1.7 0.7 1.2 1.1 1.1 1.3 1.1 1.0 1.3 1.0 1.0 1.0 1.0 1.2
[1] 3hha.b 0.9 0.8 0.9 0.9 0.8 0.7 0.9 0.8 0.8 0.8 0.8 0.9 0.9 0.9 0.9 1.0 0.8
0
0.8 0.8 1.9 0.7 1.1 0.9 1.0 1.2 0.8 0.8 1.2 0.7 0.7 0.7 1.0 1.2
[1] 3hha.c 0.8 1.0 1.1 0.8 1.0 0.8 0.8 1.0 1.0 1.0 1.0 0.9 0.9 1.0 0.9 0.9 0.8 0.8
0
0.9 1.6 0.7 1.2 1.0 1.0 1.2 1.0 1.0 1.0 1.0 1.0 0.9 1.0 1.2
[1] 3hwn.b 0.9 1.0 1.1 0.9 1.2 0.9 1.0 1.2 1.2 1.1 1.1 1.1 1.1 1.1 1.1 1.1 0.7 0.8 0.9
0
1.7 0.8 1.1 1.2 1.2 1.3 1.1 1.1 1.3 1.1 1.1 1.1 1.2 1.2
[1] 3iv2.a 1.8 1.9 2.0 1.4 1.9 1.7 1.7 1.9 1.9 1.9 1.9 1.7 1.7 1.7 1.6 1.6 1.7 1.9 1.6 1.7
0
1.8 1.9 2.0 1.8 1.7 2.0 1.9 2.4 1.9 1.9 1.8 1.7 2.0
[1] 3k24.a 0.8 0.9 0.9 0.8 0.9 0.9 0.9 0.9 0.9 0.8 0.9 0.8 0.9 0.9 0.9 1.0 0.7 0.7 0.7 0.8 1.8
0
1.2 1.0 1.0 1.2 0.9 0.9 1.1 0.9 0.9 0.9 0.9 1.2
[1] 3kse.a 1.2 1.2 1.1 1.1 1.2 1.2 1.2 1.2 1.2 1.2 1.2 1.2 1.3 1.3 1.3 1.3 1.2 1.1 1.2 1.1 1.9 1.2
0
1.2 1.2 1.3 1.1 1.2 1.5 1.2 1.2 1.2 1.2 1.2
[1] 3of8.a 1.1 1.0 0.6 1.0 0.9 0.9 1.0 0.8 0.8 0.8 0.9 1.1 1.0 1.0 1.0 1.1 1.1 0.9 1.0 1.2 2.0 1.0 1.2
0
0.4 1.2 0.8 0.8 1.1 0.9 0.9 0.9 1.1 1.1
[1] 3of9.a 1.1 1.0 0.7 1.0 0.9 0.9 1.0 0.9 0.9 0.9 1.0 1.1 1.0 1.0 1.0 1.1 1.1 1.0 1.0 1.2 1.8 1.0 1.2 0.4
0
1.1 0.9 0.9 1.2 1.0 1.0 0.9 1.1 1.1
[1] 4axl.a 1.3 1.1 1.2 1.1 1.1 1.2 1.2 1.1 1.1 1.1 1.1 1.2 1.3 1.3 1.3 1.2 1.3 1.2 1.2 1.3 1.7 1.2 1.3 1.2 1.1
0
1.1 1.1 1.7 1.1 1.1 1.1 1.1 1.5
[1] 4axm.i 1.1 0.9 0.9 1.0 0.7 0.9 1.0 0.6 0.7 0.6 0.8 1.1 1.0 1.0 1.0 1.1 1.1 0.8 1.0 1.1 2.0 0.9 1.1 0.8 0.9 1.1
0
0.8 1.2 0.8 0.8 0.8 1.0 1.1
[1] 5f02.a 1.1 0.7 0.9 0.9 0.7 0.8 0.8 0.4 0.5 0.5 0.2 0.9 0.9 0.9 0.9 0.9 1.0 0.8 1.0 1.1 1.9 0.9 1.2 0.8 0.9 1.1 0.8
0
1.2 0.4 0.5 0.4 0.9 1.2
[1] 5i4h.b 1.4 1.3 1.4 1.1 1.3 1.1 1.0 1.2 1.3 1.2 1.1 1.1 1.2 1.2 1.2 1.2 1.3 1.2 1.0 1.3 2.4 1.1 1.5 1.1 1.2 1.7 1.2 1.2
0
1.2 1.2 1.1 1.2 1.4
[1] 5mae.a 1.1 0.7 1.0 0.9 0.8 0.8 0.9 0.6 0.6 0.6 0.4 0.9 0.8 0.8 0.8 0.9 1.0 0.7 1.0 1.1 1.9 0.9 1.2 0.9 1.0 1.1 0.8 0.4 1.2
0
0.4 0.4 0.9 1.1
[1] 5maj.a 1.0 0.6 1.0 0.8 0.8 0.8 0.8 0.6 0.6 0.7 0.5 0.9 0.8 0.8 0.8 0.9 1.0 0.7 1.0 1.1 1.9 0.9 1.2 0.9 1.0 1.1 0.8 0.5 1.2 0.4
0
0.3 0.9 1.2
[1] 5mqy.a 1.0 0.6 1.0 0.8 0.7 0.7 0.8 0.6 0.6 0.6 0.4 0.8 0.8 0.8 0.8 0.8 1.0 0.7 0.9 1.1 1.8 0.9 1.2 0.9 0.9 1.1 0.8 0.4 1.1 0.4 0.3
0
0.8 1.1
[2] 1cjl.a 1.0 0.9 1.2 0.9 0.8 0.8 0.9 0.9 0.9 0.8 0.9 0.9 0.8 0.9 0.8 0.8 1.0 1.0 1.0 1.2 1.7 0.9 1.2 1.1 1.1 1.1 1.0 0.9 1.2 0.9 0.9 0.8
0
2.0
[3] 1cs8.a 1.2 1.2 1.2 1.2 1.2 1.1 1.2 1.2 1.2 1.1 1.1 1.3 1.2 1.3 1.2 1.2 1.2 1.2 1.2 1.2 2.0 1.2 1.2 1.1 1.1 1.5 1.1 1.2 1.4 1.1 1.2 1.1 2.0
0
[Binding site full-atom RMSD matrix]







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