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FABP2_AMBME_2_126

Fatty acid-binding protein 2, liver [Calycin superfamily. Fatty-acid binding protein (FABP) family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (FABP2_AMBME):R: Cholate 1 binding (54:56)
R: Cholate 2 binding (99, 101)
15, 18, 19, 22, 24, 32, 35, 52, 57, 59, 61, 63, 71:75, 79, 81, 83, 92, 97, 112, 114, 121
15, 18, 19, 22, 24, 32, 35, 52, 54:57, 59, 61, 63, 71:75, 79, 81, 83, 92, 97, 99, 101, 112, 114, 121

Full PDB list

2ft9, 2ftb

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Y
1
5
F
1
8
L
1
9
V
2
2
L
2
4
A
3
2
I
3
5
S
5
2
T
5
4
N
5
6
Q
5
7
V
5
9
N
6
1
F
6
3
I
7
1
T
7
2
S
7
3
M
7
4
I
7
9
C
8
1
V
8
3
F
9
7
H
9
9
Q
1
0
1
L
1
1
2
R
1
2
1
[1]2ft9.a chd,chd58 . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2ftb.a ola20 . . . . . . . . . . . . . . . . . . . . . . . . . .

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
L
1
9
V
2
2
L
2
4
A
3
2
I
3
5
S
5
2
T
5
4
P
5
5
N
5
6
Q
5
7
V
5
9
N
6
1
F
6
3
I
7
1
T
7
2
S
7
3
M
7
4
G
7
5
I
7
9
C
8
1
V
8
3
S
9
2
F
9
7
H
9
9
Q
1
0
1
L
1
1
2
V
1
1
4
R
1
2
1
[1]2ft9.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2ftb.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
2ft9.a:chd
2ftb.a:ola
[1] 2ft9.a
0.1
0.1
[1] 2ftb.a 5.9
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
2ft9.a
2ftb.a
[1] 2ft9.a
0
.20
[1] 2ftb.a .20
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
2ft9.a
2ftb.a
[1] 2ft9.a
0
1.9
[1] 2ftb.a 1.9
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.9 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
2ft9.a
2ftb.a
[1] 2ft9.a
0
1.9
[1] 2ftb.a 1.9
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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