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CHMU_MYCTU_16_105

Intracellular chorismate mutase

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CHMU_MYCTU):D: Chorismate mutase (50, 54, 57, 61, 68:70, 73, 74, 77, 96, 100)
R: Substrate binding (73, 74)
50, 54, 57, 61, 68:70, 73, 74, 77, 96, 100

Full PDB list

2qbv, 2vkl, 2w19, 2w1a, 5ckx (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
R
5
0
S
5
4
I
5
7
R
6
1
L
6
9
V
7
0
R
7
3
E
7
4
L
9
6
R
1
0
0
[1]2vkl.a mlt9 . . . . . . . . . .
[1]2w19.c none . . . . . . . . . .
[1]2w1a.c tsa16 . . . . . . . . . .

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
R
5
0
S
5
4
I
5
7
R
6
1
R
6
8
L
6
9
V
7
0
R
7
3
E
7
4
V
7
7
L
9
6
R
1
0
0
[1]2vkl.a . . . . . . . . . . . .
[1]2w19.c . . . . . . . . . . . .
[1]2w1a.c . . . . . . . . . . . .

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
2vkl.a:mlt
2w19.c is apo
2w1a.c:tsa
[1] 2vkl.a
0
- 0.6
[1] 2w19.c 0.3
-
0.5
[1] 2w1a.c 0.1 -
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
2vkl.a
2w19.c
2w1a.c
[1] 2vkl.a
0
.09 .06
[1] 2w19.c .09
0
.03
[1] 2w1a.c .06 .03
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.3 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
2vkl.a
2w19.c
2w1a.c
[1] 2vkl.a
0
2.7 2.6
[1] 2w19.c 2.7
0
0.4
[1] 2w1a.c 2.6 0.4
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
2vkl.a
2w19.c
2w1a.c
[1] 2vkl.a
0
3.8 3.5
[1] 2w19.c 3.8
0
1.3
[1] 2w1a.c 3.5 1.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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