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FABP4_HUMAN_2_132

Fatty acid-binding protein, adipocyte [Calycin superfamily. Fatty-acid binding protein (FABP) family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (FABP4_HUMAN):R: Fatty acid binding (127, 129)
17, 20, 21, 24, 26, 30, 34, 37, 39:41, 52:56, 58:63, 76, 77, 79, 96, 105, 107, 116, 118
17, 20, 21, 24, 26, 30, 34, 37, 39:41, 52:56, 58:63, 76, 77, 79, 96, 105, 107, 116, 118, 127, 129

Full PDB list

1tou, 1tow, 2hnx, 2nnq, 3fr2, 3fr4, 3fr5, 3p6c, 3p6d, 3p6e, 3p6f, 3p6g, 3p6h, 3q6l, 3rzy, 4nns, 4nnt, 5d45, 5d47, 5d48, 5d4a, 5edb, 5edc, 5hz6, 5hz8 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
F
1
7
Y
2
0
M
2
1
V
2
4
V
2
6
T
3
0
A
3
4
A
3
7
P
3
9
M
4
1
I
5
2
K
5
3
S
5
4
E
5
5
S
5
6
F
5
8
K
5
9
T
6
1
E
6
2
I
6
3
A
7
6
D
7
7
R
7
9
I
1
0
5
R
1
0
7
V
1
1
6
C
1
1
8
R
1
2
7
Y
1
2
9
[1]1tou.a b1v21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1tow.a crz19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2hnx.a plm18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2nnq.a t4b36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3fr2.a 8ca23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3fr4.a f8a27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3fr5.a i4a27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3p6d.a zgb14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3p6e.a zgc13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3p6f.a fbz12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3p6g.a izp15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3p6h.a ibp15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3rzy.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4nns.a 75d19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4nnt.a 76d18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5d45.a 57p29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5d47.a l1931 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5d48.a l9634 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5d4a.a 57q20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5edb.a 5m821 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5edc.a 5m726 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5hz6.a 65y26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5hz8.a 65z27 . . . L . . . . . T L . T . . . . . . . . . . L . L L . .

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
F
1
7
Y
2
0
M
2
1
V
2
4
V
2
6
T
3
0
A
3
4
A
3
7
P
3
9
N
4
0
M
4
1
I
5
2
K
5
3
S
5
4
E
5
5
S
5
6
F
5
8
K
5
9
N
6
0
T
6
1
E
6
2
I
6
3
A
7
6
D
7
7
R
7
9
Q
9
6
I
1
0
5
R
1
0
7
V
1
1
6
C
1
1
8
R
1
2
7
Y
1
2
9
[1]1tou.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1tow.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2hnx.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2nnq.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3fr2.a . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . .
[1]3fr4.a . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . .
[1]3fr5.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3p6d.a . . . . . . . . . . . . . . . * . * . . . . . . . . . . . . . .
[1]3p6e.a . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . .
[1]3p6f.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3p6g.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3p6h.a . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . .
[1]3rzy.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4nns.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4nnt.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5d45.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5d47.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5d48.a . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . .
[1]5d4a.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5edb.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5edc.a . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . .
[1]5hz6.a . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . .
[1]5hz8.a . . . L . . . . . . T L . T . . . . . . . . . . . . L . L L . .

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
1tou.a:b1v
1tow.a:crz
2hnx.a:plm
2nnq.a:t4b
3fr2.a:8ca
3fr4.a:f8a
3fr5.a:i4a
3p6d.a:zgb
3p6e.a:zgc
3p6f.a:fbz
3p6g.a:izp
3p6h.a:ibp
3rzy.a is apo
4nns.a:75d
4nnt.a:76d
5d45.a:57p
5d47.a:l19
5d48.a:l96
5d4a.a:57q
5edb.a:5m8
5edc.a:5m7
5hz6.a:65y
5hz8.a:65z
[1] 1tou.a
0
0 0.2 0.9 0.3 0.2 0.8 0.1 0.1 0.3 0.1 0.1 - 0 0 0.3 0.3 0.8 0.2 0 0.1 0.3 0.3
[1] 1tow.a 0.1
0
0.2 1.6 0.3 0.2 0.7 0 0.1 0.2 0 0.1 - 0.2 0 0.3 0.4 1.2 0.1 0.1 0.3 0.3 0.6
[1] 2hnx.a 0 0
0
1.1 0 0.2 0.7 0 0 0 0 0 - 0 0 0.4 0.4 0.5 0 0 0.2 0.4 0.6
[1] 2nnq.a 0.1 0 0
0
0.1 0 0.7 0 0 0.1 0 0 - 0 0 0.3 0.4 0.5 0 0 0.1 0.3 0.4
[1] 3fr2.a 0.1 0.1 0.2 1.0
0.2
0.2 0.8 0 0.1 0.1 0 0.1 - 0 0 0.9 0.8 1.3 0 0.1 0.1 0 0.6
[1] 3fr4.a 0.1 0.1 0.2 1.2 0.2
0.2
0.7 0.1 0.1 0.2 0.1 0.1 - 0 0 0.7 0.7 1.3 0.1 0 0 0.1 0.4
[1] 3fr5.a 0.1 0.1 0.1 1.0 0.1 0.1
0.2
0 0.1 0.1 0 0 - 0 0 0.3 0.5 0.8 0 0.1 0 0.1 0.5
[1] 3p6d.a 0.4 0 0.1 1.6 0.6 0.6 1.3
0
0.1 0 0 0.1 - 0.1 0.1 0.6 0.8 1.1 0 0 0.4 1.6 1.0
[1] 3p6e.a 0.3 0 0.1 1.5 0.5 0.4 1.3 0
0
0 0 0.1 - 0.1 0.1 0.6 0.8 1.0 0 0 0.4 1.3 0.8
[1] 3p6f.a 0.3 0 0.3 1.5 0.4 0.4 0.9 0 0.1
0
0 0.1 - 0.1 0.1 0.4 0.6 0.9 0 0.1 0.2 1.0 0.7
[1] 3p6g.a 0.2 0.1 0.2 1.2 0.1 0.2 0.7 0 0.1 0.1
0.1
0.2 - 0 0 0.4 0.5 0.4 0 0 0.2 0.2 0.6
[1] 3p6h.a 0.1 0 0.1 1.4 0.1 0.3 0.9 0 0 0 0
0
- 0 0 0.4 0.4 0.4 0 0 0.2 0.3 0.6
[1] 3rzy.a 0.2 0 0.2 1.2 0.3 0.3 0.9 0.1 0.1 0 0 0.1
-
0 0 0.5 0.4 0.6 0 0 0.3 0.5 0.4
[1] 4nns.a 0.1 0.1 0.2 1.2 0.1 0.3 0.7 0 0.1 0.1 0 0.2 -
0
0 0.3 0.5 0.8 0.2 0 0.1 0.1 0.7
[1] 4nnt.a 0.1 0.2 0.2 1.4 0.1 0.3 0.7 0.1 0.2 0.1 0.1 0.2 - 0
0
0.4 0.7 0.9 0.2 0 0.1 0.3 0.5
[1] 5d45.a 0.1 0 0.1 1.2 0.1 0.2 0.6 0.1 0.1 0 0 0.1 - 0.1 0
0.1
0 0.4 0 0 0.2 0.4 0.3
[1] 5d47.a 0 0 0.1 1.2 0 0.2 0.8 0 0.1 0 0 0.1 - 0 0 0.1
0.2
0.4 0 0 0.2 0.4 0.4
[1] 5d48.a 0.1 0 0.1 0.5 0.3 0.2 1.1 0 0.1 0 0 0.1 - 0 0 0.1 0.3
0.3
0 0 0.3 0.9 1.1
[1] 5d4a.a 0.4 0 0.3 1.1 0.2 0.2 1.1 0 0 0 0 0 - 0.1 0 0.3 0.4 0.8
0.1
0 0.3 0.7 0.7
[1] 5edb.a 0.2 0.1 0.2 1.4 0.2 0.2 0.8 0.1 0.2 0.1 0.1 0.2 - 0 0 0.4 0.7 1.0 0.1
0
0.1 0.5 0.4
[1] 5edc.a 0 0 0.1 1.0 0.2 0 0.8 0.1 0.1 0.2 0.1 0.1 - 0.1 0.1 0.4 0.6 1.3 0.1 0
0.1
0.1 0.5
[1] 5hz6.a 0.3 0.2 0.2 1.1 0.2 0.5 0.5 0.2 0.2 0.4 0.3 0.2 - 0 0 0.7 1.0 1.5 0.3 0.1 0.1
0
0.3
[1] 5hz8.a 0.3 0.1 0.4 0.7 0.3 0.3 1.0 0.4 0.1 0.1 0.3 0.1 - 0.1 0 0.6 0.4 0.7 0.2 0 0.3 0.4
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
1tou.a
1tow.a
2hnx.a
2nnq.a
3fr2.a
3fr4.a
3fr5.a
3p6d.a
3p6e.a
3p6f.a
3p6g.a
3p6h.a
3rzy.a
4nns.a
4nnt.a
5d45.a
5d47.a
5d48.a
5d4a.a
5edb.a
5edc.a
5hz6.a
5hz8.a
[1] 1tou.a
0
.03 .03 .07 .05 .07 .05 .08 .07 .06 .04 .05 .03 .03 .04 .05 .04 .07 .07 .04 .03 .05 .09
[1] 1tow.a .03
0
.04 .08 .05 .04 .04 .06 .05 .05 .04 .04 .04 .04 .03 .04 .03 .08 .05 .03 .04 .04 .09
[1] 2hnx.a .03 .04
0
.06 .04 .04 .04 .07 .06 .05 .02 .03 .02 .04 .03 .04 .02 .06 .05 .03 .04 .07 .08
[1] 2nnq.a .07 .08 .06
0
.08 .09 .07 .13 .12 .11 .07 .08 .08 .07 .08 .07 .07 .08 .08 .09 .07 .09 .08
[1] 3fr2.a .05 .05 .04 .08
0
.02 .04 .09 .08 .07 .04 .06 .06 .04 .05 .08 .05 .08 .07 .06 .03 .05 .09
[1] 3fr4.a .07 .04 .04 .09 .02
0
.04 .09 .08 .07 .03 .06 .06 .05 .05 .06 .05 .08 .06 .06 .04 .05 .08
[1] 3fr5.a .05 .04 .04 .07 .04 .04
0
.09 .08 .08 .05 .06 .06 .03 .04 .06 .05 .09 .06 .06 .05 .05 .08
[1] 3p6d.a .08 .06 .07 .13 .09 .09 .09
0
.01 .02 .06 .04 .05 .08 .07 .07 .05 .06 .05 .05 .08 .10 .11
[1] 3p6e.a .07 .05 .06 .12 .08 .08 .08 .01
0
.02 .05 .03 .04 .07 .06 .06 .04 .05 .05 .04 .07 .09 .10
[1] 3p6f.a .06 .05 .05 .11 .07 .07 .08 .02 .02
0
.04 .04 .03 .07 .06 .05 .04 .06 .03 .03 .07 .08 .09
[1] 3p6g.a .04 .04 .02 .07 .04 .03 .05 .06 .05 .04
0
.03 .02 .03 .02 .04 .01 .06 .04 .03 .04 .06 .06
[1] 3p6h.a .05 .04 .03 .08 .06 .06 .06 .04 .03 .04 .03
0
.03 .05 .04 .04 .02 .05 .05 .03 .04 .07 .09
[1] 3rzy.a .03 .04 .02 .08 .06 .06 .06 .05 .04 .03 .02 .03
0
.04 .03 .03 .01 .05 .03 .02 .04 .07 .07
[1] 4nns.a .03 .04 .04 .07 .04 .05 .03 .08 .07 .07 .03 .05 .04
0
.02 .06 .03 .08 .06 .05 .04 .05 .08
[1] 4nnt.a .04 .03 .03 .08 .05 .05 .04 .07 .06 .06 .02 .04 .03 .02
0
.05 .03 .07 .06 .03 .04 .04 .09
[1] 5d45.a .05 .04 .04 .07 .08 .06 .06 .07 .06 .05 .04 .04 .03 .06 .05
0
.03 .06 .05 .03 .05 .06 .06
[1] 5d47.a .04 .03 .02 .07 .05 .05 .05 .05 .04 .04 .01 .02 .01 .03 .03 .03
0
.05 .04 .02 .04 .06 .07
[1] 5d48.a .07 .08 .06 .08 .08 .08 .09 .06 .05 .06 .06 .05 .05 .08 .07 .06 .05
0
.07 .07 .08 .10 .10
[1] 5d4a.a .07 .05 .05 .08 .07 .06 .06 .05 .05 .03 .04 .05 .03 .06 .06 .05 .04 .07
0
.04 .08 .08 .08
[1] 5edb.a .04 .03 .03 .09 .06 .06 .06 .05 .04 .03 .03 .03 .02 .05 .03 .03 .02 .07 .04
0
.05 .05 .08
[1] 5edc.a .03 .04 .04 .07 .03 .04 .05 .08 .07 .07 .04 .04 .04 .04 .04 .05 .04 .08 .08 .05
0
.05 .09
[1] 5hz6.a .05 .04 .07 .09 .05 .05 .05 .10 .09 .08 .06 .07 .07 .05 .04 .06 .06 .10 .08 .05 .05
0
.09
[1] 5hz8.a .09 .09 .08 .08 .09 .08 .08 .11 .10 .09 .06 .09 .07 .08 .09 .06 .07 .10 .08 .08 .09 .09
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.7 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
1tou.a
1tow.a
2hnx.a
2nnq.a
3fr2.a
3fr4.a
3fr5.a
3p6d.a
3p6e.a
3p6f.a
3p6g.a
3p6h.a
3rzy.a
4nns.a
4nnt.a
5d45.a
5d47.a
5d48.a
5d4a.a
5edb.a
5edc.a
5hz6.a
5hz8.a
[1] 1tou.a
0
0.2 0.3 0.5 0.3 0.3 0.4 0.5 0.5 0.5 0.4 0.4 0.4 0.3 0.3 0.5 0.4 0.5 0.5 0.4 0.3 0.3 0.8
[1] 1tow.a 0.2
0
0.3 0.5 0.3 0.3 0.4 0.6 0.5 0.5 0.4 0.4 0.4 0.3 0.3 0.4 0.4 0.5 0.4 0.4 0.3 0.3 0.7
[1] 2hnx.a 0.3 0.3
0
0.4 0.3 0.3 0.4 0.5 0.3 0.4 0.2 0.3 0.2 0.1 0.1 0.3 0.2 0.4 0.3 0.3 0.2 0.4 0.7
[1] 2nnq.a 0.5 0.5 0.4
0
0.5 0.5 0.6 0.7 0.5 0.6 0.5 0.5 0.5 0.5 0.5 0.4 0.4 0.5 0.5 0.5 0.5 0.5 0.6
[1] 3fr2.a 0.3 0.3 0.3 0.5
0
0.2 0.3 0.6 0.5 0.5 0.4 0.4 0.4 0.3 0.3 0.4 0.4 0.5 0.4 0.4 0.3 0.3 0.8
[1] 3fr4.a 0.3 0.3 0.3 0.5 0.2
0
0.3 0.6 0.5 0.5 0.4 0.4 0.4 0.3 0.3 0.4 0.4 0.5 0.5 0.4 0.3 0.3 0.7
[1] 3fr5.a 0.4 0.4 0.4 0.6 0.3 0.3
0
0.7 0.6 0.7 0.5 0.5 0.5 0.4 0.4 0.5 0.5 0.6 0.5 0.5 0.4 0.3 0.8
[1] 3p6d.a 0.5 0.6 0.5 0.7 0.6 0.6 0.7
0
0.2 0.2 0.5 0.3 0.3 0.5 0.5 0.5 0.4 0.5 0.4 0.4 0.5 0.7 0.8
[1] 3p6e.a 0.5 0.5 0.3 0.5 0.5 0.5 0.6 0.2
0
0.1 0.3 0.2 0.2 0.4 0.3 0.4 0.2 0.4 0.2 0.3 0.4 0.6 0.7
[1] 3p6f.a 0.5 0.5 0.4 0.6 0.5 0.5 0.7 0.2 0.1
0
0.3 0.2 0.2 0.4 0.4 0.4 0.3 0.4 0.3 0.3 0.4 0.6 0.7
[1] 3p6g.a 0.4 0.4 0.2 0.5 0.4 0.4 0.5 0.5 0.3 0.3
0
0.2 0.2 0.2 0.2 0.3 0.2 0.3 0.3 0.3 0.3 0.4 0.7
[1] 3p6h.a 0.4 0.4 0.3 0.5 0.4 0.4 0.5 0.3 0.2 0.2 0.2
0
0.1 0.3 0.3 0.3 0.2 0.4 0.2 0.2 0.3 0.5 0.7
[1] 3rzy.a 0.4 0.4 0.2 0.5 0.4 0.4 0.5 0.3 0.2 0.2 0.2 0.1
0
0.3 0.3 0.3 0.2 0.3 0.2 0.2 0.3 0.5 0.7
[1] 4nns.a 0.3 0.3 0.1 0.5 0.3 0.3 0.4 0.5 0.4 0.4 0.2 0.3 0.3
0
0.1 0.3 0.2 0.4 0.3 0.3 0.2 0.4 0.8
[1] 4nnt.a 0.3 0.3 0.1 0.5 0.3 0.3 0.4 0.5 0.3 0.4 0.2 0.3 0.3 0.1
0
0.3 0.2 0.4 0.3 0.3 0.2 0.4 0.8
[1] 5d45.a 0.5 0.4 0.3 0.4 0.4 0.4 0.5 0.5 0.4 0.4 0.3 0.3 0.3 0.3 0.3
0
0.2 0.4 0.3 0.3 0.3 0.5 0.7
[1] 5d47.a 0.4 0.4 0.2 0.4 0.4 0.4 0.5 0.4 0.2 0.3 0.2 0.2 0.2 0.2 0.2 0.2
0
0.3 0.2 0.2 0.2 0.4 0.7
[1] 5d48.a 0.5 0.5 0.4 0.5 0.5 0.5 0.6 0.5 0.4 0.4 0.3 0.4 0.3 0.4 0.4 0.4 0.3
0
0.4 0.4 0.4 0.6 0.7
[1] 5d4a.a 0.5 0.4 0.3 0.5 0.4 0.5 0.5 0.4 0.2 0.3 0.3 0.2 0.2 0.3 0.3 0.3 0.2 0.4
0
0.3 0.4 0.5 0.7
[1] 5edb.a 0.4 0.4 0.3 0.5 0.4 0.4 0.5 0.4 0.3 0.3 0.3 0.2 0.2 0.3 0.3 0.3 0.2 0.4 0.3
0
0.3 0.4 0.6
[1] 5edc.a 0.3 0.3 0.2 0.5 0.3 0.3 0.4 0.5 0.4 0.4 0.3 0.3 0.3 0.2 0.2 0.3 0.2 0.4 0.4 0.3
0
0.4 0.8
[1] 5hz6.a 0.3 0.3 0.4 0.5 0.3 0.3 0.3 0.7 0.6 0.6 0.4 0.5 0.5 0.4 0.4 0.5 0.4 0.6 0.5 0.4 0.4
0
0.7
[1] 5hz8.a 0.8 0.7 0.7 0.6 0.8 0.7 0.8 0.8 0.7 0.7 0.7 0.7 0.7 0.8 0.8 0.7 0.7 0.7 0.7 0.6 0.8 0.7
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

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1tou.a
1tow.a
2hnx.a
2nnq.a
3fr2.a
3fr4.a
3fr5.a
3p6d.a
3p6e.a
3p6f.a
3p6g.a
3p6h.a
3rzy.a
4nns.a
4nnt.a
5d45.a
5d47.a
5d48.a
5d4a.a
5edb.a
5edc.a
5hz6.a
5hz8.a
[1] 1tou.a
0
0.3 0.5 0.8 0.4 0.4 0.5 0.8 0.7 0.7 0.7 0.7 0.7 0.5 0.5 0.7 0.6 0.8 0.6 0.7 0.5 0.4 0.9
[1] 1tow.a 0.3
0
0.5 0.8 0.4 0.4 0.5 0.8 0.7 0.7 0.7 0.7 0.7 0.5 0.5 0.7 0.6 0.8 0.6 0.7 0.6 0.4 0.9
[1] 2hnx.a 0.5 0.5
0
0.8 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.5 0.4 0.5 0.6 0.4 0.7 0.5 0.7 0.5 0.6 0.9
[1] 2nnq.a 0.8 0.8 0.8
0
0.8 0.8 0.8 1.1 0.8 0.9 0.9 0.9 0.8 0.8 0.8 0.9 0.8 0.9 0.8 0.8 0.8 0.8 0.9
[1] 3fr2.a 0.4 0.4 0.6 0.8
0
0.2 0.4 0.9 0.8 0.8 0.7 0.8 0.7 0.5 0.6 0.8 0.7 0.8 0.7 0.8 0.6 0.4 1.0
[1] 3fr4.a 0.4 0.4 0.6 0.8 0.2
0
0.3 0.9 0.8 0.8 0.7 0.8 0.7 0.5 0.6 0.7 0.7 0.8 0.7 0.8 0.6 0.4 0.9
[1] 3fr5.a 0.5 0.5 0.6 0.8 0.4 0.3
0
1.0 0.8 0.8 0.7 0.8 0.8 0.5 0.6 0.8 0.7 0.9 0.7 0.8 0.7 0.5 1.0
[1] 3p6d.a 0.8 0.8 0.6 1.1 0.9 0.9 1.0
0
0.7 0.6 0.8 0.5 0.7 0.8 0.8 0.7 0.6 0.7 0.6 0.7 0.7 0.9 1.0
[1] 3p6e.a 0.7 0.7 0.6 0.8 0.8 0.8 0.8 0.7
0
0.4 0.6 0.5 0.2 0.6 0.5 0.7 0.5 0.8 0.5 0.7 0.7 0.8 0.9
[1] 3p6f.a 0.7 0.7 0.6 0.9 0.8 0.8 0.8 0.6 0.4
0
0.6 0.6 0.4 0.5 0.5 0.7 0.6 0.8 0.6 0.8 0.8 0.8 1.0
[1] 3p6g.a 0.7 0.7 0.6 0.9 0.7 0.7 0.7 0.8 0.6 0.6
0
0.7 0.5 0.5 0.5 0.7 0.6 0.8 0.7 0.8 0.8 0.8 1.0
[1] 3p6h.a 0.7 0.7 0.6 0.9 0.8 0.8 0.8 0.5 0.5 0.6 0.7
0
0.5 0.6 0.6 0.6 0.4 0.7 0.4 0.6 0.6 0.8 0.8
[1] 3rzy.a 0.7 0.7 0.5 0.8 0.7 0.7 0.8 0.7 0.2 0.4 0.5 0.5
0
0.5 0.4 0.7 0.5 0.7 0.5 0.7 0.7 0.8 0.9
[1] 4nns.a 0.5 0.5 0.4 0.8 0.5 0.5 0.5 0.8 0.6 0.5 0.5 0.6 0.5
0
0.2 0.6 0.5 0.7 0.6 0.7 0.6 0.6 1.0
[1] 4nnt.a 0.5 0.5 0.5 0.8 0.6 0.6 0.6 0.8 0.5 0.5 0.5 0.6 0.4 0.2
0
0.7 0.5 0.8 0.6 0.7 0.6 0.6 1.0
[1] 5d45.a 0.7 0.7 0.6 0.9 0.8 0.7 0.8 0.7 0.7 0.7 0.7 0.6 0.7 0.6 0.7
0
0.6 0.5 0.6 0.7 0.6 0.7 0.8
[1] 5d47.a 0.6 0.6 0.4 0.8 0.7 0.7 0.7 0.6 0.5 0.6 0.6 0.4 0.5 0.5 0.5 0.6
0
0.6 0.4 0.6 0.5 0.7 0.9
[1] 5d48.a 0.8 0.8 0.7 0.9 0.8 0.8 0.9 0.7 0.8 0.8 0.8 0.7 0.7 0.7 0.8 0.5 0.6
0
0.7 0.9 0.8 0.8 1.0
[1] 5d4a.a 0.6 0.6 0.5 0.8 0.7 0.7 0.7 0.6 0.5 0.6 0.7 0.4 0.5 0.6 0.6 0.6 0.4 0.7
0
0.5 0.6 0.7 0.8
[1] 5edb.a 0.7 0.7 0.7 0.8 0.8 0.8 0.8 0.7 0.7 0.8 0.8 0.6 0.7 0.7 0.7 0.7 0.6 0.9 0.5
0
0.5 0.7 0.7
[1] 5edc.a 0.5 0.6 0.5 0.8 0.6 0.6 0.7 0.7 0.7 0.8 0.8 0.6 0.7 0.6 0.6 0.6 0.5 0.8 0.6 0.5
0
0.6 0.8
[1] 5hz6.a 0.4 0.4 0.6 0.8 0.4 0.4 0.5 0.9 0.8 0.8 0.8 0.8 0.8 0.6 0.6 0.7 0.7 0.8 0.7 0.7 0.6
0
0.9
[1] 5hz8.a 0.9 0.9 0.9 0.9 1.0 0.9 1.0 1.0 0.9 1.0 1.0 0.8 0.9 1.0 1.0 0.8 0.9 1.0 0.8 0.7 0.8 0.9
0
[Binding site full-atom RMSD matrix]







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