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CARB_PECCC_1_250

Carboxymethylproline synthase [Enoyl-CoA hydratase/isomerase family]

Composition of the binding site

Protein chains monomer
A1 (CARB_PECCC):79, 83, 87, 107, 108, 111, 131, 137:141, 22979, 83, 87, 107, 108, 111, 131, 137:141, 229

Full PDB list

2a7k, 2a81

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
V
8
3
Y
8
7
M
1
0
8
Q
1
1
1
E
1
3
1
G
1
3
7
C
1
3
8
V
1
4
0
G
1
4
1
H
2
2
9
[1]2a7k.b none . . . . . . . . . .
[1]2a81.a bcn11 . . . . . . . . . .

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
W
7
9
V
8
3
Y
8
7
G
1
0
7
M
1
0
8
Q
1
1
1
E
1
3
1
G
1
3
7
C
1
3
8
S
1
3
9
V
1
4
0
G
1
4
1
H
2
2
9
[1]2a7k.b . . . . . . . . . . . . .
[1]2a81.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
2a7k.b is apo
2a81.a:bcn
[1] 2a7k.b
-
0.1
[1] 2a81.a -
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
2a7k.b
2a81.a
[1] 2a7k.b
0
.01
[1] 2a81.a .01
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
2a7k.b
2a81.a
[1] 2a7k.b
0
1.8
[1] 2a81.a 1.8
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
2a7k.b
2a81.a
[1] 2a7k.b
0
1.9
[1] 2a81.a 1.9
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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