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AOTC_BACTN_2_317

N-acetylornithine carbamoyltransferase [ATCase/OTCase family]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (AOTC_BACTN):R: N-acetylornithine binding (274:276)
110, 112, 142, 147, 176, 178, 180, 181, 236, 278
110, 112, 142, 147, 176, 178, 180, 181, 236, 274:276, 278
A2 (AOTC_BACTN):75, 9075, 90
Cofactors (cF):cp

Full PDB list

1js1, 2fg6, 2fg7, 2g7m (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2 cF
F
1
1
2
E
1
4
2
H
1
7
6
R
1
7
8
L
1
8
0
P
1
8
1
K
2
3
6
C
2
7
4
L
2
7
5
R
2
7
8
W
7
5
P
9
0
[1]1js1.x none . . . . . . . . . . - -
[1]2fg6.y sn015 . . . . . . . . . . . .
[1]2g7m.y an011 . . . . . . . . . . . E cp

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 A2 cF
R
1
1
0
F
1
1
2
E
1
4
2
H
1
4
7
H
1
7
6
R
1
7
8
L
1
8
0
P
1
8
1
K
2
3
6
C
2
7
4
L
2
7
5
P
2
7
6
R
2
7
8
W
7
5
P
9
0
[1]1js1.x . . . . . . . . . . . . . - -
[1]2fg6.y . . . . . . . . . . . . . . .
[1]2g7m.y . . . . . . . . . . . . . . E cp

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
1js1.x is apo
2fg6.y:sn0
2g7m.y:an0
[1] 1js1.x
-
0.5 0
[1] 2fg6.y -
0
0
[1] 2g7m.y - 2.2
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
1js1.x
2fg6.y
2g7m.y
[1] 1js1.x
0
.03 .14
[1] 2fg6.y .03
0
.14
[1] 2g7m.y .14 .14
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.4 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
1js1.x
2fg6.y
2g7m.y
[1] 1js1.x
0
0.6 0.6
[1] 2fg6.y 0.6
0
0.1
[1] 2g7m.y 0.6 0.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.1 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
1js1.x
2fg6.y
2g7m.y
[1] 1js1.x
0
1.9 1.9
[1] 2fg6.y 1.9
0
0.5
[1] 2g7m.y 1.9 0.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

L C X E | Background Color: | Anaglyph Stereo:

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