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FABPL_CHICK_2_126

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

Composition of the binding site

Protein chains monomer
A1 (FABPL_CHICK):22, 50, 61, 63, 71:73, 77, 79, 81, 83, 92, 97, 99, 101, 112, 11422, 50, 61, 63, 71:73, 77, 79, 81, 83, 92, 97, 99, 101, 112, 114

Full PDB list

1tvq, 1tw4

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
2
2
N
6
1
F
6
3
I
7
1
T
7
3
K
7
7
L
7
9
V
8
3
T
9
2
F
9
7
H
9
9
Q
1
0
1
[1]1tw4.a chd29 . . . . . . . . . . . .
[2]1tvq.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

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PDB.ch
A1
L
2
2
V
5
0
N
6
1
F
6
3
I
7
1
T
7
2
T
7
3
K
7
7
L
7
9
C
8
1
V
8
3
T
9
2
F
9
7
H
9
9
Q
1
0
1
I
1
1
2
F
1
1
4
[1]1tw4.a . . . . . . . . . . . . . . . . .
[2]1tvq.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
1tw4.a:chd
1tvq.a is apo
[1] 1tw4.a
0
-
[2] 1tvq.a 6.7
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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
1tw4.a
1tvq.a
[1] 1tw4.a
0
.39
[2] 1tvq.a .39
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.9 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
1tw4.a
1tvq.a
[1] 1tw4.a
0
1.6
[2] 1tvq.a 1.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.8 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
1tw4.a
1tvq.a
[1] 1tw4.a
0
1.9
[2] 1tvq.a 1.9
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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