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1B08_HUMAN_25_300_pep

HLA class I histocompatibility antigen, B-8 alpha chain [MHC class I family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (1B08_HUMAN):R: Alpha-1 (29, 31, 33, 46, 48, 57, 60, 69, 83, 86, 87, 89:91, 93, 94, 96:98, 100, 101, 103:105, 108)
R: Alpha-2 (119, 121, 123, 138, 140, 147, 148, 167, 170, 171, 174:176, 179, 180, 183, 187, 191, 195)
29, 31, 33, 46, 48, 57, 60, 69, 83, 86, 87, 89:91, 93, 94, 96:98, 100, 101, 103:105, 108, 119, 121, 123, 138, 140, 147, 148, 167, 170, 171, 174:176, 179, 180, 183, 187, 191, 195

Full PDB list

1agb, 1agc, 1agd, 1age, 1agf, 1m05, 1mi5, 3ffc, 3sjv, 3skm, 3sko, 3spv, 3x13, 3x14, 4qrp, 4qrq, 4qrs, 4qrt, 4qru (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
M
2
9
Y
3
1
D
3
3
F
4
6
S
4
8
F
6
0
Y
8
3
R
8
6
N
8
7
Q
8
9
I
9
0
F
9
1
T
9
3
N
9
4
Q
9
6
T
9
7
D
9
8
E
1
0
0
S
1
0
1
N
1
0
4
L
1
0
5
Y
1
0
8
L
1
1
9
S
1
2
1
Y
1
2
3
N
1
3
8
Y
1
4
0
Y
1
4
7
I
1
4
8
T
1
6
7
K
1
7
0
W
1
7
1
A
1
7
4
V
1
7
6
Q
1
7
9
D
1
8
0
Y
1
8
3
T
1
8
7
W
1
9
1
Y
1
9
5
[1]1agb.a GGRKKYKL67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1agc.a GGKKKYQL65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1agd.a GGKKKYKL65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1age.a GGKKKYRL67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1agf.a GGKKRYKL67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1m05.a FLRGRAYGL75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1mi5.a FLRGRAYGL,LAGG,Y108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3ffc.a FLRGRAYGL,Q-WT105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3ffc.f FLRGRAYGL,Q-TWT112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3sjv.a FLRGRAYGL,R,Y98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3sjv.f FLRGRAYGL,RAG,Y107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3sjv.k FLRGRAYGL,RAG,Y-Q116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3sjv.p FLRGRAYGL,Q-RAG,Y116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3skm.a FLRGRAYVL78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3sko.a FLRGRAYGL75 . . . . . . . . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3spv.a RAKFKQLL71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3x13.a FLRGRAYGL75 . . . . . . . . . . . . . . . . . . . I . . . . . . . . . . . . . . . . . . . .
[1]4qrp.a HSKKKCDEL,R,V93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4qrq.a HSKKKCDEL75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4qrs.a ELKRKMIYM83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4qrt.a ELNRKMIYM82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4qru.a ELRRKMMYM85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
M
2
9
Y
3
1
D
3
3
F
4
6
S
4
8
F
5
7
F
6
0
E
6
9
Y
8
3
R
8
6
N
8
7
Q
8
9
I
9
0
F
9
1
T
9
3
N
9
4
Q
9
6
T
9
7
D
9
8
E
1
0
0
S
1
0
1
R
1
0
3
N
1
0
4
L
1
0
5
Y
1
0
8
L
1
1
9
S
1
2
1
Y
1
2
3
N
1
3
8
Y
1
4
0
Y
1
4
7
I
1
4
8
T
1
6
7
K
1
7
0
W
1
7
1
A
1
7
4
R
1
7
5
V
1
7
6
Q
1
7
9
D
1
8
0
Y
1
8
3
T
1
8
7
W
1
9
1
Y
1
9
5
[1]1agb.a . . . . . . . . . * . . . * . . . . * * . . . . . . . . . . . . . . . . . . . . . . . .
[1]1agc.a . . . . . . . . . * . . . * . . . . * * . . . . . . . . . . . . . . . . . . . . . . . .
[1]1agd.a . . . . . . . . . * . . . * . . . . * * . . . . . . . . . . . . . . . . . . . . . . . .
[1]1age.a . . . . . . . . . * . . . * . . . . * * . . . . . . . . . . . . . . . . . . . . . . . .
[1]1agf.a . . . . . . . . . * . . . * . . . . * * . . . . . . . . . . . . . . . . . . . . . . . .
[1]1m05.a . . . . . . . - . * . . . . . . . . . * . . . . . . . . . . . . . . . . . . * . . . . .
[1]1mi5.a . . . . . . . . . . . . . . . . . . * * . . . . . . . . . . . . . . . . . . * . . . . .
[1]3ffc.a . . . . . . . . . * . . . . . . . . . * . . . . . . . . . . . . . . . . . . * . . . . .
[1]3ffc.f . . . . . . . . . * . . . . . . . . * * . . . . . . . . . . . . . . . . . . * . . . . .
[1]3sjv.a . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . * . . . . .
[1]3sjv.f . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . * . . . . * . . . . .
[1]3sjv.k . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . * . . . . * . . . . .
[1]3sjv.p . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . * . . . . * . . . . .
[1]3skm.a . . . . . . . - . * . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3sko.a . . . . . . . - . * . . A . . . . . * . . . . . . . . * . . . . . . . . . . * . . . . .
[1]3spv.a . . . . . . . . . * . * . * . . . . * * . . . . . . . . . . . . . . . . . . * . . . . .
[1]3x13.a . . . . . . . . . * . . . . . . . . * . . . I . . . . . . . . . . . . . . . * . . . . .
[1]4qrp.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4qrq.a . . . . . . . - . . . . . * * . . . * . . . . . . . . . . . . . . . . . . . * . . . . .
[1]4qrs.a . . . . . . . . . * . . . . . . . . * . . . . . . . . . . . . . . . . . . . * . . . . .
[1]4qrt.a . . . . . . . . . * . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4qru.a . . . . . . . . . * . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .

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
1agb.a:GGRKKYKL
1agc.a:GGKKKYQL
1agd.a:GGKKKYKL
1age.a:GGKKKYRL
1agf.a:GGKKRYKL
1m05.a:FLRGRAYGL
1mi5.a:FLRGRAYGL,LAGG,Y
3ffc.a:FLRGRAYGL,Q-WT
3ffc.f:FLRGRAYGL,Q-TWT
3sjv.a:FLRGRAYGL,R,Y
3sjv.f:FLRGRAYGL,RAG,Y
3sjv.k:FLRGRAYGL,RAG,Y-Q
3sjv.p:FLRGRAYGL,Q-RAG,Y
3skm.a:FLRGRAYVL
3sko.a:FLRGRAYGL
3spv.a:RAKFKQLL
3x13.a:FLRGRAYGL
4qrp.a:HSKKKCDEL,R,V
4qrq.a:HSKKKCDEL
4qrs.a:ELKRKMIYM
4qrt.a:ELNRKMIYM
4qru.a:ELRRKMMYM
[1] 1agb.a
0.1
0.2 0.2 0.1 0.3 4.0 4.2 3.8 3.7 4.9 4.5 3.5 4.3 3.7 3.6 0.8 3.9 1.5 1.4 3.7 3.2 2.5
[1] 1agc.a 0.2
0.1
0.1 0.1 0.5 5.2 4.7 4.1 4.3 5.3 4.8 4.0 5.0 3.9 4.2 0.6 4.4 1.5 1.7 4.0 3.1 2.7
[1] 1agd.a 0.1 0.1
0.1
0 0.4 4.3 4.2 4.0 4.1 5.0 4.4 3.9 4.7 3.7 3.9 0.6 3.8 1.4 0.9 3.7 3.1 2.7
[1] 1age.a 0.2 0 0.1
0
0.4 4.6 4.6 4.1 4.1 5.3 4.7 4.1 5.0 4.0 4.4 0.8 4.2 1.6 0.9 4.3 3.7 2.9
[1] 1agf.a 0.3 0.2 0.4 0.2
0
5.2 4.7 4.6 4.9 6.5 4.8 4.9 5.5 4.7 4.7 1.1 4.6 1.6 1.7 4.8 4.1 3.0
[1] 1m05.a 1.2 1.3 1.8 0.9 1.4
0.1
1.3 1.2 1.7 2.0 2.8 2.8 2.9 0.8 1.0 1.0 0.7 1.7 1.7 4.3 4.3 2.3
[1] 1mi5.a 3.4 3.9 3.5 3.6 3.2 0.6
0
0.2 1.7 1.6 0.6 0.2 0.6 1.2 1.3 1.8 0.5 1.2 2.8 3.2 3.1 3.4
[1] 3ffc.a 3.2 3.3 2.8 2.9 4.1 0.6 1.0
0.3
0.5 1.4 0.9 0.9 1.1 2.5 1.3 2.8 0.7 2.6 3.0 3.7 3.1 3.4
[1] 3ffc.f 2.7 3.2 3.2 2.5 3.9 0.8 0.9 0.1
0.3
1.3 0.8 0.9 0.7 2.0 1.5 2.7 0.5 2.1 2.7 3.2 2.7 2.7
[1] 3sjv.a 3.0 3.3 3.5 3.3 4.2 0.6 1.1 0.3 1.0
0.1
0.2 0.3 0.2 1.6 1.6 3.2 0.5 3.6 3.2 2.9 2.9 2.9
[1] 3sjv.f 3.0 3.1 3.0 3.0 3.6 0.9 1.8 0.6 1.3 0.9
0.2
0.5 0.6 2.5 1.5 3.1 0.7 3.9 3.1 3.3 3.5 3.5
[1] 3sjv.k 3.1 3.2 3.5 3.0 3.9 0.7 1.6 0.2 0.8 0.7 0
0
0.2 3.4 1.2 3.4 0.4 3.7 2.9 2.9 2.9 3.6
[1] 3sjv.p 3.1 3.7 3.3 3.3 4.0 0.6 1.3 0.8 1.1 1.0 0.4 0.4
0.1
2.4 1.0 2.8 0.5 3.6 3.2 3.3 3.6 3.1
[1] 3skm.a 0.3 0.1 0.1 0 0.7 1.0 1.8 1.5 2.0 1.4 1.2 1.2 1.3
0
0.6 0.3 0.1 1.8 0.8 2.8 2.6 2.3
[1] 3sko.a 1.6 2.0 2.1 2.0 1.4 1.9 1.4 1.8 2.9 2.8 2.2 1.8 2.0 1.6
0.1
1.8 1.5 4.0 1.5 2.9 1.6 2.1
[1] 3spv.a 0.7 0.8 1.0 0.5 1.3 1.7 2.3 2.3 3.2 2.8 3.4 3.0 2.8 1.0 2.3
0
1.7 3.1 1.5 4.5 3.5 2.9
[1] 3x13.a 0.4 0.5 0.3 0.4 1.0 0.5 1.9 1.3 2.2 1.2 1.6 1.4 1.6 0 0.6 0.3
0
2.7 0.7 2.6 1.8 2.8
[1] 4qrp.a 0.3 0.5 0.6 0.3 0.3 0.3 0.3 0.5 1.3 0.7 0.3 0.2 0.7 0.2 0.6 0.8 0.3
0
0.4 1.2 0.8 0.1
[1] 4qrq.a 0.6 0.5 0.5 0.6 1.5 2.7 2.3 2.6 2.7 3.4 2.5 2.0 2.6 2.0 2.9 0.7 2.0 1.6
0
1.4 1.4 1.8
[1] 4qrs.a 1.0 0.8 0.7 0.6 2.2 2.5 1.8 1.5 2.4 3.1 2.2 1.3 2.1 0.8 1.7 0.5 1.4 1.8 0.6
0
0 0.4
[1] 4qrt.a 0.4 0.6 0.5 0.4 1.3 2.6 1.9 1.6 2.4 3.3 2.3 1.3 2.4 0.9 1.8 0.5 1.4 1.1 0.6 0.2
0
0.2
[1] 4qru.a 0.2 0.2 0.2 0.1 0.9 2.6 1.7 1.4 2.0 2.6 1.9 1.3 2.2 0.8 1.1 0.2 1.1 0.7 0.4 0.2 0
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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
1agb.a
1agc.a
1agd.a
1age.a
1agf.a
1m05.a
1mi5.a
3ffc.a
3ffc.f
3sjv.a
3sjv.f
3sjv.k
3sjv.p
3skm.a
3sko.a
3spv.a
3x13.a
4qrp.a
4qrq.a
4qrs.a
4qrt.a
4qru.a
[1] 1agb.a
0
.05 .06 .06 .06 .20 .22 .20 .19 .25 .26 .26 .26 .16 .21 .14 .20 .18 .14 .21 .18 .16
[1] 1agc.a .05
0
.03 .05 .08 .18 .23 .19 .20 .25 .26 .26 .27 .14 .21 .13 .17 .18 .13 .17 .14 .13
[1] 1agd.a .06 .03
0
.03 .08 .18 .22 .20 .19 .25 .25 .25 .26 .13 .20 .12 .16 .17 .13 .17 .14 .14
[1] 1age.a .06 .05 .03
0
.07 .17 .22 .20 .19 .23 .25 .24 .25 .15 .21 .14 .18 .18 .15 .18 .16 .15
[1] 1agf.a .06 .08 .08 .07
0
.20 .23 .23 .23 .27 .27 .27 .27 .19 .23 .15 .23 .18 .17 .24 .21 .20
[1] 1m05.a .20 .18 .18 .17 .20
0
.09 .06 .07 .12 .10 .11 .10 .13 .16 .14 .13 .12 .18 .13 .14 .14
[1] 1mi5.a .22 .23 .22 .22 .23 .09
0
.08 .08 .09 .08 .10 .08 .18 .19 .17 .17 .13 .19 .17 .19 .19
[1] 3ffc.a .20 .19 .20 .20 .23 .06 .08
0
.03 .11 .08 .09 .08 .16 .18 .17 .16 .14 .17 .15 .15 .15
[1] 3ffc.f .19 .20 .19 .19 .23 .07 .08 .03
0
.10 .10 .10 .10 .15 .18 .17 .16 .13 .16 .15 .15 .15
[1] 3sjv.a .25 .25 .25 .23 .27 .12 .09 .11 .10
0
.07 .07 .08 .22 .22 .22 .20 .15 .22 .19 .21 .22
[1] 3sjv.f .26 .26 .25 .25 .27 .10 .08 .08 .10 .07
0
.06 .04 .22 .24 .22 .21 .15 .23 .20 .22 .22
[1] 3sjv.k .26 .26 .25 .24 .27 .11 .10 .09 .10 .07 .06
0
.06 .23 .23 .22 .21 .16 .23 .20 .22 .22
[1] 3sjv.p .26 .27 .26 .25 .27 .10 .08 .08 .10 .08 .04 .06
0
.22 .24 .22 .20 .16 .23 .20 .22 .22
[1] 3skm.a .16 .14 .13 .15 .19 .13 .18 .16 .15 .22 .22 .23 .22
0
.13 .14 .06 .11 .14 .09 .06 .05
[1] 3sko.a .21 .21 .20 .21 .23 .16 .19 .18 .18 .22 .24 .23 .24 .13
0
.17 .11 .15 .16 .12 .13 .13
[1] 3spv.a .14 .13 .12 .14 .15 .14 .17 .17 .17 .22 .22 .22 .22 .14 .17
0
.13 .17 .12 .16 .17 .16
[1] 3x13.a .20 .17 .16 .18 .23 .13 .17 .16 .16 .20 .21 .21 .20 .06 .11 .13
0
.14 .14 .07 .09 .08
[1] 4qrp.a .18 .18 .17 .18 .18 .12 .13 .14 .13 .15 .15 .16 .16 .11 .15 .17 .14
0
.14 .14 .12 .11
[1] 4qrq.a .14 .13 .13 .15 .17 .18 .19 .17 .16 .22 .23 .23 .23 .14 .16 .12 .14 .14
0
.12 .13 .12
[1] 4qrs.a .21 .17 .17 .18 .24 .13 .17 .15 .15 .19 .20 .20 .20 .09 .12 .16 .07 .14 .12
0
.05 .06
[1] 4qrt.a .18 .14 .14 .16 .21 .14 .19 .15 .15 .21 .22 .22 .22 .06 .13 .17 .09 .12 .13 .05
0
.03
[1] 4qru.a .16 .13 .14 .15 .20 .14 .19 .15 .15 .22 .22 .22 .22 .05 .13 .16 .08 .11 .12 .06 .03
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.6 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
1agb.a
1agc.a
1agd.a
1age.a
1agf.a
1m05.a
1mi5.a
3ffc.a
3ffc.f
3sjv.a
3sjv.f
3sjv.k
3sjv.p
3skm.a
3sko.a
3spv.a
3x13.a
4qrp.a
4qrq.a
4qrs.a
4qrt.a
4qru.a
[1] 1agb.a
0
0.3 0.3 0.3 0.3 0.5 1.0 1.5 1.5 1.4 1.4 1.4 1.4 0.5 0.5 1.2 1.3 1.2 0.4 1.2 1.2 1.3
[1] 1agc.a 0.3
0
0.1 0.1 0.3 0.5 1.1 1.5 1.5 1.4 1.4 1.4 1.4 0.4 0.4 1.2 1.3 1.2 0.3 1.2 1.2 1.3
[1] 1agd.a 0.3 0.1
0
0.1 0.4 0.5 1.1 1.5 1.5 1.4 1.4 1.4 1.4 0.5 0.4 1.2 1.3 1.2 0.3 1.2 1.2 1.3
[1] 1age.a 0.3 0.1 0.1
0
0.4 0.5 1.0 1.5 1.5 1.4 1.4 1.4 1.4 0.4 0.4 1.2 1.3 1.2 0.3 1.2 1.2 1.3
[1] 1agf.a 0.3 0.3 0.4 0.4
0
0.5 1.1 1.5 1.5 1.5 1.4 1.4 1.4 0.5 0.5 1.2 1.3 1.2 0.4 1.3 1.3 1.4
[1] 1m05.a 0.5 0.5 0.5 0.5 0.5
0
0.3 0.3 0.3 0.4 0.4 0.4 0.5 0.4 0.6 0.5 0.5 0.4 0.5 0.6 0.5 0.4
[1] 1mi5.a 1.0 1.1 1.1 1.0 1.1 0.3
0
0.7 0.7 0.7 0.7 0.8 0.7 0.5 0.7 0.9 0.8 0.6 0.6 0.8 0.8 0.8
[1] 3ffc.a 1.5 1.5 1.5 1.5 1.5 0.3 0.7
0
0.1 0.5 0.4 0.5 0.5 0.4 0.8 0.7 1.1 0.5 0.5 0.7 0.6 0.5
[1] 3ffc.f 1.5 1.5 1.5 1.5 1.5 0.3 0.7 0.1
0
0.5 0.4 0.5 0.5 0.4 0.8 0.7 1.1 0.6 0.6 0.7 0.6 0.5
[1] 3sjv.a 1.4 1.4 1.4 1.4 1.5 0.4 0.7 0.5 0.5
0
0.4 0.4 0.5 0.5 0.8 0.8 1.2 0.6 0.7 0.7 0.7 0.6
[1] 3sjv.f 1.4 1.4 1.4 1.4 1.4 0.4 0.7 0.4 0.4 0.4
0
0.5 0.5 0.5 0.8 0.8 1.2 0.6 0.6 0.7 0.6 0.6
[1] 3sjv.k 1.4 1.4 1.4 1.4 1.4 0.4 0.8 0.5 0.5 0.4 0.5
0
0.5 0.5 0.8 0.8 1.3 0.6 0.6 0.7 0.7 0.6
[1] 3sjv.p 1.4 1.4 1.4 1.4 1.4 0.5 0.7 0.5 0.5 0.5 0.5 0.5
0
0.5 0.9 0.8 1.1 0.6 0.7 0.8 0.7 0.7
[1] 3skm.a 0.5 0.4 0.5 0.4 0.5 0.4 0.5 0.4 0.4 0.5 0.5 0.5 0.5
0
0.6 0.4 0.3 0.4 0.3 0.5 0.4 0.3
[1] 3sko.a 0.5 0.4 0.4 0.4 0.5 0.6 0.7 0.8 0.8 0.8 0.8 0.8 0.9 0.6
0
0.4 0.4 0.7 0.5 0.5 0.5 0.5
[1] 3spv.a 1.2 1.2 1.2 1.2 1.2 0.5 0.9 0.7 0.7 0.8 0.8 0.8 0.8 0.4 0.4
0
1.2 0.6 0.2 0.5 0.5 0.4
[1] 3x13.a 1.3 1.3 1.3 1.3 1.3 0.5 0.8 1.1 1.1 1.2 1.2 1.3 1.1 0.3 0.4 1.2
0
1.1 0.4 1.1 1.1 1.1
[1] 4qrp.a 1.2 1.2 1.2 1.2 1.2 0.4 0.6 0.5 0.6 0.6 0.6 0.6 0.6 0.4 0.7 0.6 1.1
0
0.5 0.7 0.6 0.6
[1] 4qrq.a 0.4 0.3 0.3 0.3 0.4 0.5 0.6 0.5 0.6 0.7 0.6 0.6 0.7 0.3 0.5 0.2 0.4 0.5
0
0.5 0.4 0.3
[1] 4qrs.a 1.2 1.2 1.2 1.2 1.3 0.6 0.8 0.7 0.7 0.7 0.7 0.7 0.8 0.5 0.5 0.5 1.1 0.7 0.5
0
0.1 0.3
[1] 4qrt.a 1.2 1.2 1.2 1.2 1.3 0.5 0.8 0.6 0.6 0.7 0.6 0.7 0.7 0.4 0.5 0.5 1.1 0.6 0.4 0.1
0
0.3
[1] 4qru.a 1.3 1.3 1.3 1.3 1.4 0.4 0.8 0.5 0.5 0.6 0.6 0.6 0.7 0.3 0.5 0.4 1.1 0.6 0.3 0.3 0.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.6 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
1agb.a
1agc.a
1agd.a
1age.a
1agf.a
1m05.a
1mi5.a
3ffc.a
3ffc.f
3sjv.a
3sjv.f
3sjv.k
3sjv.p
3skm.a
3sko.a
3spv.a
3x13.a
4qrp.a
4qrq.a
4qrs.a
4qrt.a
4qru.a
[1] 1agb.a
0
0.6 0.6 0.6 0.5 1.8 1.9 2.6 2.6 2.5 2.5 2.5 2.4 1.4 1.6 2.1 2.1 2.2 1.3 2.1 2.1 2.3
[1] 1agc.a 0.6
0
0.3 0.5 0.6 1.8 1.8 2.6 2.6 2.5 2.4 2.5 2.4 1.4 1.6 2.0 2.1 2.2 1.2 2.1 2.1 2.2
[1] 1agd.a 0.6 0.3
0
0.3 0.6 1.8 1.9 2.6 2.6 2.5 2.4 2.5 2.4 1.4 1.6 2.0 2.0 2.1 1.2 2.1 2.1 2.2
[1] 1age.a 0.6 0.5 0.3
0
0.6 1.7 1.9 2.6 2.6 2.5 2.4 2.5 2.4 1.4 1.6 2.0 2.0 2.1 1.2 2.1 2.1 2.2
[1] 1agf.a 0.5 0.6 0.6 0.6
0
1.8 1.9 2.6 2.6 2.5 2.5 2.5 2.5 1.4 1.6 2.0 2.1 2.2 1.3 2.2 2.2 2.3
[1] 1m05.a 1.8 1.8 1.8 1.7 1.8
0
1.1 0.9 0.9 1.3 1.3 1.3 1.3 1.3 1.5 1.6 1.2 1.2 1.8 1.6 1.6 1.6
[1] 1mi5.a 1.9 1.8 1.9 1.9 1.9 1.1
0
1.0 1.0 1.3 1.2 1.3 1.2 1.4 1.6 1.8 1.4 1.3 1.8 1.5 1.5 1.5
[1] 3ffc.a 2.6 2.6 2.6 2.6 2.6 0.9 1.0
0
0.8 1.4 1.2 1.4 1.3 1.5 1.6 1.8 1.8 1.4 1.8 1.7 1.7 1.7
[1] 3ffc.f 2.6 2.6 2.6 2.6 2.6 0.9 1.0 0.8
0
1.2 1.2 1.3 1.2 1.3 1.6 1.6 1.9 1.4 1.8 1.6 1.6 1.6
[1] 3sjv.a 2.5 2.5 2.5 2.5 2.5 1.3 1.3 1.4 1.2
0
0.8 1.0 1.0 1.6 1.8 1.9 2.1 1.4 1.9 1.6 1.6 1.6
[1] 3sjv.f 2.5 2.4 2.4 2.4 2.5 1.3 1.2 1.2 1.2 0.8
0
0.9 0.8 1.5 1.7 1.9 2.0 1.3 1.9 1.6 1.5 1.6
[1] 3sjv.k 2.5 2.5 2.5 2.5 2.5 1.3 1.3 1.4 1.3 1.0 0.9
0
0.9 1.6 1.8 1.9 2.2 1.3 1.9 1.6 1.6 1.5
[1] 3sjv.p 2.4 2.4 2.4 2.4 2.5 1.3 1.2 1.3 1.2 1.0 0.8 0.9
0
1.6 1.8 1.9 2.1 1.3 1.9 1.7 1.6 1.7
[1] 3skm.a 1.4 1.4 1.4 1.4 1.4 1.3 1.4 1.5 1.3 1.6 1.5 1.6 1.6
0
1.2 1.2 0.9 1.3 1.6 1.1 1.1 1.0
[1] 3sko.a 1.6 1.6 1.6 1.6 1.6 1.5 1.6 1.6 1.6 1.8 1.7 1.8 1.8 1.2
0
1.5 1.0 1.5 1.6 1.3 1.3 1.3
[1] 3spv.a 2.1 2.0 2.0 2.0 2.0 1.6 1.8 1.8 1.6 1.9 1.9 1.9 1.9 1.2 1.5
0
1.8 1.8 1.3 1.6 1.5 1.5
[1] 3x13.a 2.1 2.1 2.0 2.0 2.1 1.2 1.4 1.8 1.9 2.1 2.0 2.2 2.1 0.9 1.0 1.8
0
1.9 1.4 1.8 1.9 1.9
[1] 4qrp.a 2.2 2.2 2.1 2.1 2.2 1.2 1.3 1.4 1.4 1.4 1.3 1.3 1.3 1.3 1.5 1.8 1.9
0
1.6 1.4 1.3 1.4
[1] 4qrq.a 1.3 1.2 1.2 1.2 1.3 1.8 1.8 1.8 1.8 1.9 1.9 1.9 1.9 1.6 1.6 1.3 1.4 1.6
0
1.4 1.3 1.4
[1] 4qrs.a 2.1 2.1 2.1 2.1 2.2 1.6 1.5 1.7 1.6 1.6 1.6 1.6 1.7 1.1 1.3 1.6 1.8 1.4 1.4
0
0.6 0.9
[1] 4qrt.a 2.1 2.1 2.1 2.1 2.2 1.6 1.5 1.7 1.6 1.6 1.5 1.6 1.6 1.1 1.3 1.5 1.9 1.3 1.3 0.6
0
0.7
[1] 4qru.a 2.3 2.2 2.2 2.2 2.3 1.6 1.5 1.7 1.6 1.6 1.6 1.5 1.7 1.0 1.3 1.5 1.9 1.4 1.4 0.9 0.7
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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