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FABP4_MOUSE_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_MOUSE):R: Fatty acid binding (127, 129)
17, 20, 21, 24, 26, 30, 33, 34, 37, 39, 41, 54, 56, 58, 59, 76, 77, 79, 105, 107, 116, 118
17, 20, 21, 24, 26, 30, 33, 34, 37, 39, 41, 54, 56, 58, 59, 76, 77, 79, 105, 107, 116, 118, 127, 129

Full PDB list

1a18, 1a2d, 1ab0, 1acd, 1adl, 1alb, 1g74, 1g7n, 1lib, 1lic, 1lid, 1lie, 1lif, 2ans, 2q9s, 2qm9, 3hk1, 3js1, 3jsq, 5c0n, 5d8j (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
V
3
3
A
3
4
A
3
7
P
3
9
M
4
1
S
5
4
S
5
6
F
5
8
K
5
9
A
7
6
D
7
7
R
7
9
I
1
0
5
V
1
1
6
C
1
1
8
R
1
2
7
Y
1
2
9
[1]1ab0.a none . . . . . . D . . . . . . H . . . . . . . . .
[1]1acd.a none . . . . . . D . . . . . . H . . . . . . * . .
[1]1adl.a acd22 . . . . . . . . . . . . . . . . . . . . . . .
[1]1g74.a ola20 . . . . . . . . . . . . . . . V . . . . . . .
[1]1g7n.a none . . . . . . . . . . . . . . . V . . . . . . .
[1]1lib.a none . . . . . . . . . . . . . . . . . . . . . . .
[1]1lic.a hds20 . . . . . . . . . . . . . . . . . . . . * . .
[1]1lid.a ola20 . . . . . . . . . . . . . . . . . . . . . . .
[1]1lie.a plm18 . . . . . . . . . . . . . . . . . . . . * . .
[1]1lif.a ste20 . . . . . . . . . . . . . . . . . . . . . . .
[1]2ans.a 2an21 . . . . . . . . . . . . . . . . . . . . . . .
[1]2q9s.a eic20 . . . . . . . . . . . . . . . . . . . . . . .
[1]2qm9.b tdz16 . . . . . . . . . . . . . . . . . . . . . . .
[1]3hk1.a b6422 . . . . . . . . . . . . . . . . . . . . . . .
[1]3jsq.a hne11 . . . . . . . . . . . . . . . . . . . . . . .
[2]1a18.a none . . . . . . . . . . . . . . . . . . . . * . .
[2]1a2d.b none . . . . . . . . . . . . . . . . . . . . * . .
[2]3js1.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
F
1
7
Y
2
0
M
2
1
V
2
4
V
2
6
T
3
0
V
3
3
A
3
4
A
3
7
P
3
9
M
4
1
S
5
4
S
5
6
F
5
8
K
5
9
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]1ab0.a . . . . . . D . . . . . . H . . . . . . . . . .
[1]1acd.a . . . . . . D . . . . . . H . . . . . . . csd . .
[1]1adl.a . . . . . . . . . . . . . . . . . . . . . . . .
[1]1g74.a . . . . . . . . . . . . . * . V . . . . . . . .
[1]1g7n.a . . * . . . . . . . . . . * . V . . . . . . . .
[1]1lib.a . . . . . . . . . . . . . * . . . . . . . . . .
[1]1lic.a . . . . . . . . . . . . . . . . . . . . . * . .
[1]1lid.a . . . . . . . . . . . . . . . . . . . . . . . .
[1]1lie.a . . . . . . . . . . . . . . . . . . . . . * . .
[1]1lif.a . . . . . . . . . . . . . . . . . . . . . . . .
[1]2ans.a . . . . . . . . . . . . . * . . . . . . . . . .
[1]2q9s.a . . . . . . . . . . . . . * . . . . . . . . . .
[1]2qm9.b . . . . . . . . . . . . . * . . . . . . . . . .
[1]3hk1.a . . . . . . . . . . . . . . . . . . . . . . . .
[1]3jsq.a . . . . . . . . . . . . . * . . . . . . . . . .
[2]1a18.a . . . . . . . . . . . . . * . . . . . . . nph . .
[2]1a2d.b . . . . . . . . . . . . . * . . . . . . . pyx . .
[2]3js1.a . . . . . . . . . . . . . * . . . . . . . hnc . .

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

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
1ab0.a is apo
1acd.a is apo
1adl.a:acd
1g74.a:ola
1g7n.a is apo
1lib.a is apo
1lic.a:hds
1lid.a:ola
1lie.a:plm
1lif.a:ste
2ans.a:2an
2q9s.a:eic
2qm9.b:tdz
3hk1.a:b64
3jsq.a:hne
1a18.a is apo
1a2d.b is apo
3js1.a is apo
[1] 1ab0.a
-
- 0.7 0.4 - - 0.2 0.5 0.2 0.5 0.2 0.4 0.1 0.5 0.1 - - -
[1] 1acd.a -
-
0.1 0.5 - - 0.1 0.2 0.2 0.3 0.2 0.4 0.7 0.3 0.5 - - -
[1] 1adl.a - -
0
0 - - 0 0 0 0 0 0.1 0 0 0 - - -
[1] 1g74.a - - 0.6
0
- - 3.8 3.9 3.1 4.0 0.1 0.2 0.2 1.3 0.1 - - -
[1] 1g7n.a - - 1.5 0.9
-
- 4.3 4.8 4.3 5.1 0.7 1.1 0.9 1.8 0.7 - - -
[1] 1lib.a - - 0.5 0.4 -
-
3.5 4.1 3.5 4.3 0 0.2 0.1 1.0 0 - - -
[1] 1lic.a - - 0.1 0.1 - -
0
0.2 0 0.1 0 0.4 0.1 0.1 0.1 - - -
[1] 1lid.a - - 0 0 - - 0
0
0 0 0 0.1 0 0.1 0 - - -
[1] 1lie.a - - 0.1 0 - - 0 0.2
0
0.1 0 0.4 0.2 0.2 0.1 - - -
[1] 1lif.a - - 0 0.2 - - 0 0 0
0
0 0.1 0 0.1 0 - - -
[1] 2ans.a - - 2.4 1.0 - - 4.0 3.9 3.7 3.8
0
0.1 0.2 3.1 0 - - -
[1] 2q9s.a - - 2.8 0.8 - - 3.9 3.7 3.5 3.7 0
0
0 3.5 0 - - -
[1] 2qm9.b - - 2.4 0.7 - - 3.9 3.9 3.3 4.0 0 0.2
0
3.3 0 - - -
[1] 3hk1.a - - 0 0 - - 0.1 0 0 0.1 0 0.2 0.1
0.1
0 - - -
[1] 3jsq.a - - 2.7 0.9 - - 3.7 4.1 3.3 4.1 0.1 0.1 0 3.6
0
- - -
[2] 1a18.a - - 7.3 7.1 - - 9.1 9.1 7.3 8.8 4.9 6.9 5.1 8.1 3.6
-
- -
[2] 1a2d.b - - 9.4 7.6 - - 8.9 8.7 8.3 9.2 6.1 6.5 5.4 9.5 5.8 -
-
-
[2] 3js1.a - - 8.3 6.6 - - 9.3 9.9 9.4 10 5.5 6.7 5.4 8.5 6.3 - -
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 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
1ab0.a
1acd.a
1adl.a
1g74.a
1g7n.a
1lib.a
1lic.a
1lid.a
1lie.a
1lif.a
2ans.a
2q9s.a
2qm9.b
3hk1.a
3jsq.a
1a18.a
1a2d.b
3js1.a
[1] 1ab0.a
0
.05 .05 .20 .23 .20 .04 .04 .05 .04 .20 .20 .20 .05 .20 .48 .49 .48
[1] 1acd.a .05
0
.04 .22 .25 .21 .03 .05 .04 .05 .22 .19 .19 .04 .20 .44 .47 .44
[1] 1adl.a .05 .04
0
.19 .24 .20 .02 0 .02 .01 .20 .17 .17 .02 .18 .47 .49 .45
[1] 1g74.a .20 .22 .19
0
.08 .07 .20 .18 .20 .19 .07 .05 .05 .20 .05 .35 .37 .34
[1] 1g7n.a .23 .25 .24 .08
0
.08 .24 .24 .24 .24 .10 .08 .09 .24 .09 .38 .38 .36
[1] 1lib.a .20 .21 .20 .07 .08
0
.19 .20 .20 .19 .05 .04 .04 .20 .05 .33 .32 .30
[1] 1lic.a .04 .03 .02 .20 .24 .19
0
.02 .01 .02 .19 .18 .18 .02 .19 .45 .47 .43
[1] 1lid.a .04 .05 0 .18 .24 .20 .02
0
.03 .02 .20 .18 .18 .02 .18 .48 .50 .46
[1] 1lie.a .05 .04 .02 .20 .24 .20 .01 .03
0
.04 .20 .19 .18 .02 .18 .46 .48 .44
[1] 1lif.a .04 .05 .01 .19 .24 .19 .02 .02 .04
0
.19 .18 .18 .03 .18 .47 .50 .46
[1] 2ans.a .20 .22 .20 .07 .10 .05 .19 .20 .20 .19
0
.03 .02 .20 .02 .32 .32 .29
[1] 2q9s.a .20 .19 .17 .05 .08 .04 .18 .18 .19 .18 .03
0
.01 .18 .01 .31 .34 .30
[1] 2qm9.b .20 .19 .17 .05 .09 .04 .18 .18 .18 .18 .02 .01
0
.17 .01 .31 .33 .29
[1] 3hk1.a .05 .04 .02 .20 .24 .20 .02 .02 .02 .03 .20 .18 .17
0
.18 .47 .48 .45
[1] 3jsq.a .20 .20 .18 .05 .09 .05 .19 .18 .18 .18 .02 .01 .01 .18
0
.31 .32 .29
[2] 1a18.a .48 .44 .47 .35 .38 .33 .45 .48 .46 .47 .32 .31 .31 .47 .31
0
.07 .06
[2] 1a2d.b .49 .47 .49 .37 .38 .32 .47 .50 .48 .50 .32 .34 .33 .48 .32 .07
0
.04
[2] 3js1.a .48 .44 .45 .34 .36 .30 .43 .46 .44 .46 .29 .30 .29 .45 .29 .06 .04
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
1ab0.a
1acd.a
1adl.a
1g74.a
1g7n.a
1lib.a
1lic.a
1lid.a
1lie.a
1lif.a
2ans.a
2q9s.a
2qm9.b
3hk1.a
3jsq.a
1a18.a
1a2d.b
3js1.a
[1] 1ab0.a
0
0.7 0.6 0.8 0.8 0.7 0.6 0.7 0.6 0.6 1.1 1.0 1.0 0.8 1.0 1.1 1.1 1.0
[1] 1acd.a 0.7
0
0.5 0.7 0.9 0.8 0.5 0.5 0.5 0.5 0.9 0.9 0.9 0.7 0.9 0.9 0.9 0.9
[1] 1adl.a 0.6 0.5
0
0.4 0.7 0.6 0.1 0.1 0.1 0.1 0.7 0.6 0.7 0.5 0.6 0.7 0.8 0.6
[1] 1g74.a 0.8 0.7 0.4
0
0.8 0.7 0.5 0.5 0.4 0.5 0.6 0.6 0.6 0.6 0.5 0.7 0.7 0.6
[1] 1g7n.a 0.8 0.9 0.7 0.8
0
0.2 0.7 0.7 0.7 0.7 0.9 0.8 0.8 0.9 0.9 1.0 1.1 0.8
[1] 1lib.a 0.7 0.8 0.6 0.7 0.2
0
0.5 0.6 0.5 0.5 0.8 0.7 0.7 0.8 0.8 0.9 0.9 0.7
[1] 1lic.a 0.6 0.5 0.1 0.5 0.7 0.5
0
0.1 0.1 0.1 0.6 0.7 0.7 0.5 0.6 0.7 0.8 0.6
[1] 1lid.a 0.7 0.5 0.1 0.5 0.7 0.6 0.1
0
0.2 0.1 0.7 0.6 0.7 0.5 0.6 0.7 0.8 0.6
[1] 1lie.a 0.6 0.5 0.1 0.4 0.7 0.5 0.1 0.2
0
0.1 0.7 0.7 0.7 0.5 0.6 0.7 0.8 0.6
[1] 1lif.a 0.6 0.5 0.1 0.5 0.7 0.5 0.1 0.1 0.1
0
0.7 0.6 0.6 0.5 0.6 0.7 0.8 0.6
[1] 2ans.a 1.1 0.9 0.7 0.6 0.9 0.8 0.6 0.7 0.7 0.7
0
0.6 0.5 0.8 0.5 0.3 0.4 0.4
[1] 2q9s.a 1.0 0.9 0.6 0.6 0.8 0.7 0.7 0.6 0.7 0.6 0.6
0
0.2 0.6 0.5 0.6 0.6 0.6
[1] 2qm9.b 1.0 0.9 0.7 0.6 0.8 0.7 0.7 0.7 0.7 0.6 0.5 0.2
0
0.6 0.5 0.6 0.6 0.5
[1] 3hk1.a 0.8 0.7 0.5 0.6 0.9 0.8 0.5 0.5 0.5 0.5 0.8 0.6 0.6
0
0.6 0.8 0.8 0.7
[1] 3jsq.a 1.0 0.9 0.6 0.5 0.9 0.8 0.6 0.6 0.6 0.6 0.5 0.5 0.5 0.6
0
0.5 0.5 0.4
[2] 1a18.a 1.1 0.9 0.7 0.7 1.0 0.9 0.7 0.7 0.7 0.7 0.3 0.6 0.6 0.8 0.5
0
0.4 0.5
[2] 1a2d.b 1.1 0.9 0.8 0.7 1.1 0.9 0.8 0.8 0.8 0.8 0.4 0.6 0.6 0.8 0.5 0.4
0
0.5
[2] 3js1.a 1.0 0.9 0.6 0.6 0.8 0.7 0.6 0.6 0.6 0.6 0.4 0.6 0.5 0.7 0.4 0.5 0.5
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

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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
1ab0.a
1acd.a
1adl.a
1g74.a
1g7n.a
1lib.a
1lic.a
1lid.a
1lie.a
1lif.a
2ans.a
2q9s.a
2qm9.b
3hk1.a
3jsq.a
1a18.a
1a2d.b
3js1.a
[1] 1ab0.a
0
0.8 0.9 1.1 1.2 1.0 0.8 0.8 0.9 0.8 1.3 1.2 1.2 0.9 1.2 1.3 1.4 1.2
[1] 1acd.a 0.8
0
0.7 0.8 1.0 0.8 0.7 0.7 0.7 0.7 0.9 0.9 0.8 0.8 0.9 0.9 1.0 0.9
[1] 1adl.a 0.9 0.7
0
1.3 1.5 1.3 0.4 0.6 0.3 0.5 1.7 1.6 1.6 0.9 1.6 1.7 1.7 1.6
[1] 1g74.a 1.1 0.8 1.3
0
0.9 0.7 1.2 1.1 1.3 1.1 1.0 0.8 0.8 1.4 0.8 1.0 1.0 0.9
[1] 1g7n.a 1.2 1.0 1.5 0.9
0
0.7 1.4 1.4 1.5 1.4 1.2 1.1 1.1 1.7 1.2 1.3 1.2 1.1
[1] 1lib.a 1.0 0.8 1.3 0.7 0.7
0
1.2 1.2 1.3 1.2 1.0 0.8 0.7 1.5 0.9 1.0 1.1 0.9
[1] 1lic.a 0.8 0.7 0.4 1.2 1.4 1.2
0
0.3 0.4 0.3 1.5 1.4 1.4 0.8 1.4 1.5 1.6 1.5
[1] 1lid.a 0.8 0.7 0.6 1.1 1.4 1.2 0.3
0
0.7 0.1 1.4 1.3 1.3 0.7 1.3 1.4 1.5 1.4
[1] 1lie.a 0.9 0.7 0.3 1.3 1.5 1.3 0.4 0.7
0
0.6 1.7 1.6 1.6 0.9 1.6 1.7 1.8 1.7
[1] 1lif.a 0.8 0.7 0.5 1.1 1.4 1.2 0.3 0.1 0.6
0
1.4 1.3 1.3 0.7 1.3 1.4 1.5 1.4
[1] 2ans.a 1.3 0.9 1.7 1.0 1.2 1.0 1.5 1.4 1.7 1.4
0
0.8 0.7 1.6 0.8 0.6 0.6 0.8
[1] 2q9s.a 1.2 0.9 1.6 0.8 1.1 0.8 1.4 1.3 1.6 1.3 0.8
0
0.4 1.5 0.7 0.8 0.8 0.8
[1] 2qm9.b 1.2 0.8 1.6 0.8 1.1 0.7 1.4 1.3 1.6 1.3 0.7 0.4
0
1.5 0.6 0.7 0.8 0.7
[1] 3hk1.a 0.9 0.8 0.9 1.4 1.7 1.5 0.8 0.7 0.9 0.7 1.6 1.5 1.5
0
1.4 1.6 1.6 1.5
[1] 3jsq.a 1.2 0.9 1.6 0.8 1.2 0.9 1.4 1.3 1.6 1.3 0.8 0.7 0.6 1.4
0
0.7 0.8 0.6
[2] 1a18.a 1.3 0.9 1.7 1.0 1.3 1.0 1.5 1.4 1.7 1.4 0.6 0.8 0.7 1.6 0.7
0
1.0 0.7
[2] 1a2d.b 1.4 1.0 1.7 1.0 1.2 1.1 1.6 1.5 1.8 1.5 0.6 0.8 0.8 1.6 0.8 1.0
0
0.8
[2] 3js1.a 1.2 0.9 1.6 0.9 1.1 0.9 1.5 1.4 1.7 1.4 0.8 0.8 0.7 1.5 0.6 0.7 0.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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