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FABP7_HUMAN_2_132

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

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (FABP7_HUMAN):R: Fatty acid binding (127, 129)
17, 20, 21, 24, 26, 30, 33, 34, 37, 39, 41, 54, 56, 58, 59, 61, 63, 73:77, 79, 105, 107, 116, 118
17, 20, 21, 24, 26, 30, 33, 34, 37, 39, 41, 54, 56, 58, 59, 61, 63, 73:77, 79, 105, 107, 116, 118, 127, 129

Full PDB list

1fdq, 1fe3, 5ura

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
F
1
7
M
2
1
V
2
6
T
3
0
V
3
3
G
3
4
T
3
7
P
3
9
V
4
1
T
5
4
S
5
6
F
5
8
K
5
9
T
6
1
I
6
3
E
7
3
T
7
5
A
7
6
D
7
7
F
1
0
5
M
1
1
6
L
1
1
8
R
1
2
7
Y
1
2
9
[1]1fdq.a hxa24 . . . . . . . . . . . . . . . . . . . . . . . .
[1]1fe3.a ola20 . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ura.d 8ks32 . . . . . . . . . . . . . . . . . . . . . . . .

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
L
2
4
V
2
6
T
3
0
V
3
3
G
3
4
T
3
7
P
3
9
V
4
1
T
5
4
S
5
6
F
5
8
K
5
9
T
6
1
I
6
3
E
7
3
T
7
4
T
7
5
A
7
6
D
7
7
R
7
9
F
1
0
5
R
1
0
7
M
1
1
6
L
1
1
8
R
1
2
7
Y
1
2
9
[1]1fdq.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1fe3.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ura.d . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
1fdq.a:hxa
1fe3.a:ola
5ura.d:8ks
[1] 1fdq.a
0.3
0 0.9
[1] 1fe3.a 0.3
0
0.6
[1] 5ura.d 0.7 0
0
[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
1fdq.a
1fe3.a
5ura.d
[1] 1fdq.a
0
.03 .05
[1] 1fe3.a .03
0
.03
[1] 5ura.d .05 .03
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.2 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
1fdq.a
1fe3.a
5ura.d
[1] 1fdq.a
0
0.5 0.7
[1] 1fe3.a 0.5
0
0.7
[1] 5ura.d 0.7 0.7
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.5 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
1fdq.a
1fe3.a
5ura.d
[1] 1fdq.a
0
1.2 1.5
[1] 1fe3.a 1.2
0
1.2
[1] 5ura.d 1.5 1.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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