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FABP5_HUMAN_2_135

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

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (FABP5_HUMAN):R: Fatty acid binding (129, 131)
19, 22, 23, 26, 28, 32, 35, 36, 39, 41, 43, 56, 58, 60, 61, 64, 77:79, 81, 107, 109, 118, 120, 127
19, 22, 23, 26, 28, 32, 35, 36, 39, 41, 43, 56, 58, 60, 61, 64, 77:79, 81, 107, 109, 118, 120, 127, 129, 131

Full PDB list

1b56, 4azm, 4azr, 4lkp, 4lkt, 5hz5, 5ur9

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
F
1
9
Y
2
2
M
2
3
L
2
6
L
3
2
M
3
5
G
3
6
A
3
9
P
4
1
T
5
6
Q
6
4
A
7
8
D
7
9
R
8
1
I
1
0
7
R
1
0
9
V
1
1
8
C
1
2
0
C
1
2
7
R
1
2
9
Y
1
3
1
[1]1b56.a plm18 . . . . . . . . . . . . . . . . . . . . .
[1]4azm.a t4b36 . . . . . . . . . . . . . . . . . . . . .
[1]4azr.a a9m25 . . . . . . . . . . . . . . . . . . . . .
[1]4lkp.a none . . . . . . . . . . . . . . . . . . . . .
[1]4lkt.c eic20 . . . . . . . . . . . . . . . . . . . . .
[1]5hz5.a 65x28 . . . . . . . . . . . . . . . . . . . . .
[1]5ur9.a myr16 . . . . . . . . . . . . . . . . . . . . .

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
9
Y
2
2
M
2
3
L
2
6
V
2
8
L
3
2
M
3
5
G
3
6
A
3
9
P
4
1
C
4
3
T
5
6
S
5
8
L
6
0
K
6
1
Q
6
4
T
7
7
A
7
8
D
7
9
R
8
1
I
1
0
7
R
1
0
9
V
1
1
8
C
1
2
0
C
1
2
7
R
1
2
9
Y
1
3
1
[1]1b56.a * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4azm.a . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4azr.a . . . . . . . . . . . . . V . * . . . . . . . . . . .
[1]4lkp.a * . . . . . . . . . . . . . * . . . . . . . . . . . .
[1]4lkt.c * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5hz5.a * . . . . . * . . . . . . . . . . . . . . . . . . . .
[1]5ur9.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
1b56.a:plm
4azm.a:t4b
4azr.a:a9m
4lkp.a is apo
4lkt.c:eic
5hz5.a:65x
5ur9.a:myr
[1] 1b56.a
0
2.2 0.5 - 0.1 0.2 0
[1] 4azm.a 0
0
0.6 - 0 0.2 0
[1] 4azr.a 0 1.0
0.1
- 0.1 0 0.1
[1] 4lkp.a 1.6 4.2 1.7
-
2.0 2.3 1.8
[1] 4lkt.c 0 1.9 0.5 -
0.2
0.3 0.1
[1] 5hz5.a 0.2 2.8 1.4 - 0.9
0
0.2
[1] 5ur9.a 0 2.4 0.4 - 0.1 0.5
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
1b56.a
4azm.a
4azr.a
4lkp.a
4lkt.c
5hz5.a
5ur9.a
[1] 1b56.a
0
.11 .13 .12 .07 .08 .04
[1] 4azm.a .11
0
.07 .20 .10 .17 .11
[1] 4azr.a .13 .07
0
.20 .11 .15 .14
[1] 4lkp.a .12 .20 .20
0
.15 .17 .13
[1] 4lkt.c .07 .10 .11 .15
0
.11 .06
[1] 5hz5.a .08 .17 .15 .17 .11
0
.11
[1] 5ur9.a .04 .11 .14 .13 .06 .11
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.8 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
1b56.a
4azm.a
4azr.a
4lkp.a
4lkt.c
5hz5.a
5ur9.a
[1] 1b56.a
0
20 13 0.3 0.7 0.4 1.1
[1] 4azm.a 20
0
10 20 20 20 20
[1] 4azr.a 13 10
0
13 13 13 13
[1] 4lkp.a 0.3 20 13
0
0.7 0.3 1.2
[1] 4lkt.c 0.7 20 13 0.7
0
0.6 1.2
[1] 5hz5.a 0.4 20 13 0.3 0.6
0
1.1
[1] 5ur9.a 1.1 20 13 1.2 1.2 1.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.2 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
1b56.a
4azm.a
4azr.a
4lkp.a
4lkt.c
5hz5.a
5ur9.a
[1] 1b56.a
0
20 14 1.1 1.3 0.6 1.6
[1] 4azm.a 20
0
10 20 20 20 20
[1] 4azr.a 14 10
0
14 14 14 14
[1] 4lkp.a 1.1 20 14
0
1.3 1.1 1.9
[1] 4lkt.c 1.3 20 14 1.3
0
1.2 1.8
[1] 5hz5.a 0.6 20 14 1.1 1.2
0
1.7
[1] 5ur9.a 1.6 20 14 1.9 1.8 1.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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