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CBG_HUMAN_33_405

Corticosteroid-binding globulin [Serpin family]

Composition of the binding site

Protein chains monomer
A1 (CBG_HUMAN):40, 41, 44, 254, 262, 264, 282, 285, 286, 289, 388, 390, 39340, 41, 44, 254, 262, 264, 282, 285, 286, 289, 388, 390, 393

Full PDB list

2vdx, 2vdy, 4bb2, 4c41, 4c49 (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
S
4
1
V
4
4
Q
2
5
4
T
2
6
2
F
2
6
4
R
2
8
2
I
2
8
5
N
2
8
6
S
2
8
9
F
3
8
8
H
3
9
0
W
3
9
3
[1]2vdy.b hcy26 . . . . . . . . . . . .
[1]4bb2.a str23 . . . . . . . . . - - -
[2]4c41.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
A
4
0
S
4
1
V
4
4
Q
2
5
4
T
2
6
2
F
2
6
4
R
2
8
2
I
2
8
5
N
2
8
6
S
2
8
9
F
3
8
8
H
3
9
0
W
3
9
3
[1]2vdy.b . . . . . . . . . . . . .
[1]4bb2.a . . . . . . . . . . - - -
[2]4c41.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
2vdy.b:hcy
4bb2.a:str
4c41.a is apo
[1] 2vdy.b
0
0 -
[1] 4bb2.a 0.1
0
-
[2] 4c41.a 5.4 5.4
-
[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
2vdy.b
4bb2.a
4c41.a
[1] 2vdy.b
0
.01 .45
[1] 4bb2.a .01
0
.45
[2] 4c41.a .45 .45
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.7 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
2vdy.b
4bb2.a
4c41.a
[1] 2vdy.b
0
0.4 0.8
[1] 4bb2.a 0.4
0
0.8
[2] 4c41.a 0.8 0.8
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.4 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
2vdy.b
4bb2.a
4c41.a
[1] 2vdy.b
0
0.7 2.0
[1] 4bb2.a 0.7
0
1.6
[2] 4c41.a 2.0 1.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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