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FABP6_HUMAN_1_128

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

Composition of the binding site

Protein chains monomer
A1 (FABP6_HUMAN):15, 18, 19, 37, 50, 52, 54, 62, 64, 72:76, 80, 84, 91, 93, 98, 100:102, 113, 120, 12215, 18, 19, 37, 50, 52, 54, 62, 64, 72:76, 80, 84, 91, 93, 98, 100:102, 113, 120, 122

Full PDB list

5l8i, 5l8n, 5l8o

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Y
1
5
F
1
8
M
1
9
I
3
7
W
5
0
Q
5
2
Y
5
4
F
6
4
I
7
2
T
7
4
F
8
0
L
9
1
V
9
3
Q
1
0
0
T
1
0
1
S
1
0
2
S
1
1
3
Y
1
2
0
R
1
2
2
[1]5l8i.a pge10 . . . . . . . . . . . . . . . . . . .
[1]5l8i.b p3322 . . . . . . . . . . . . . . . . . . .
[1]5l8n.a none . . . . . . . . . . . . . . . . . . .
[1]5l8o.b chd29 . . . . . . . . . . . . . . . . . . .

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
Y
1
5
F
1
8
M
1
9
I
3
7
W
5
0
Q
5
2
Y
5
4
N
6
2
F
6
4
I
7
2
Q
7
3
T
7
4
M
7
5
G
7
6
F
8
0
V
8
4
L
9
1
V
9
3
Y
9
8
Q
1
0
0
T
1
0
1
S
1
0
2
S
1
1
3
Y
1
2
0
R
1
2
2
[1]5l8i.a . . . . . . . . . . . . . . . . . . . * . . . . .
[1]5l8i.b . . . . . . . . . . . . . . . . . . . * . . . . .
[1]5l8n.a . . . . . . . . . . . . . . . . . . . * . . . . .
[1]5l8o.b . . . . . . . . . . . . . . . . . . . . . . . . .

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
5l8i.a:pge
5l8i.b:p33
5l8n.a is apo
5l8o.b:chd
[1] 5l8i.a
0
0.1 - 1.5
[1] 5l8i.b 0
0
- 1.3
[1] 5l8n.a 0 0
-
1.5
[1] 5l8o.b 0 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
5l8i.a
5l8i.b
5l8n.a
5l8o.b
[1] 5l8i.a
0
.04 0 .06
[1] 5l8i.b .04
0
.04 .05
[1] 5l8n.a 0 .04
0
.06
[1] 5l8o.b .06 .05 .06
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
5l8i.a
5l8i.b
5l8n.a
5l8o.b
[1] 5l8i.a
0
0.7 0.4 0.9
[1] 5l8i.b 0.7
0
0.7 0.5
[1] 5l8n.a 0.4 0.7
0
0.8
[1] 5l8o.b 0.9 0.5 0.8
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

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
5l8i.a
5l8i.b
5l8n.a
5l8o.b
[1] 5l8i.a
0
1.0 0.6 1.3
[1] 5l8i.b 1.0
0
0.9 0.9
[1] 5l8n.a 0.6 0.9
0
1.1
[1] 5l8o.b 1.3 0.9 1.1
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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