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FABPI_RAT_2_132

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

Composition of the binding site

Protein chains monomer
A1 (FABPI_RAT):15, 18, 19, 22, 24, 28, 32, 50, 56, 61, 63, 69, 71, 73:77, 79, 83, 94, 103, 105, 107, 11815, 18, 19, 22, 24, 28, 32, 50, 56, 61, 63, 69, 71, 73:77, 79, 83, 94, 103, 105, 107, 118

Full PDB list

1dc9, 1icm, 1icn, 1ifb, 1ifc, 2ifb, 3akn (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Y
1
5
F
1
8
M
1
9
M
2
2
I
2
4
K
2
8
V
5
0
F
5
6
V
6
1
F
6
3
Y
7
1
L
7
3
A
7
4
D
7
5
W
8
3
F
9
4
A
1
0
5
R
1
0
7
Y
1
1
8
[1]1dc9.a none . . . . . . . . N . . . . . . . . . .
[1]1icm.a myr16 . . . . . . . . . . . . . . . . . . .
[1]1icn.a ola20 . . . . . . . . . . . . . . . . . Q .
[1]1ifc.a none . . . . . . . . . . . . . . . . . . .
[1]2ifb.a plm18 . . . . . . . . . . . . . . . . . . .
[1]3akn.a 11d30 . . . . . . . . . . . . . . . . . . .

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

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PDB.ch
A1
Y
1
5
F
1
8
M
1
9
M
2
2
I
2
4
K
2
8
G
3
2
V
5
0
F
5
6
V
6
1
F
6
3
F
6
9
Y
7
1
L
7
3
A
7
4
D
7
5
G
7
6
T
7
7
L
7
9
W
8
3
F
9
4
L
1
0
3
A
1
0
5
R
1
0
7
Y
1
1
8
[1]1dc9.a . . . . . . . . . N . . . . . . . . . . . . . * .
[1]1icm.a . . . . . . . . . . . . . . . . . . . . . . . * .
[1]1icn.a . . . . . . . . . . . . . . . . . . . . . . . Q .
[1]1ifc.a . . . . . . . . . . . . . . . * . . . . . . . * .
[1]2ifb.a . . . . . . . . . . . . . . . . . . . . . . . * .
[1]3akn.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

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
1dc9.a is apo
1icm.a:myr
1icn.a:ola
1ifc.a is apo
2ifb.a:plm
3akn.a:11d
[1] 1dc9.a
-
0 1.3 - 0.1 1.3
[1] 1icm.a -
0
1.3 - 0.2 0.6
[1] 1icn.a - 0
0.1
- 0.1 1.6
[1] 1ifc.a - 0.4 2.5
-
1.3 3.9
[1] 2ifb.a - 0.2 1.7 -
0.1
2.3
[1] 3akn.a - 0.1 1.9 - 0.2
0.1
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
1dc9.a
1icm.a
1icn.a
1ifc.a
2ifb.a
3akn.a
[1] 1dc9.a
0
.05 .08 .14 .06 .08
[1] 1icm.a .05
0
.11 .16 .09 .04
[1] 1icn.a .08 .11
0
.18 .12 .14
[1] 1ifc.a .14 .16 .18
0
.17 .18
[1] 2ifb.a .06 .09 .12 .17
0
.10
[1] 3akn.a .08 .04 .14 .18 .10
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone 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
1dc9.a
1icm.a
1icn.a
1ifc.a
2ifb.a
3akn.a
[1] 1dc9.a
0
0.3 0.4 0.8 0.6 0.7
[1] 1icm.a 0.3
0
0.3 0.8 0.6 0.5
[1] 1icn.a 0.4 0.3
0
0.6 0.6 0.7
[1] 1ifc.a 0.8 0.8 0.6
0
0.9 1.1
[1] 2ifb.a 0.6 0.6 0.6 0.9
0
0.7
[1] 3akn.a 0.7 0.5 0.7 1.1 0.7
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
1dc9.a
1icm.a
1icn.a
1ifc.a
2ifb.a
3akn.a
[1] 1dc9.a
0
0.3 0.4 0.9 1.2 0.8
[1] 1icm.a 0.3
0
0.3 0.9 1.2 0.7
[1] 1icn.a 0.4 0.3
0
0.8 1.2 0.8
[1] 1ifc.a 0.9 0.9 0.8
0
1.3 1.0
[1] 2ifb.a 1.2 1.2 1.2 1.3
0
1.2
[1] 3akn.a 0.8 0.7 0.8 1.0 1.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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