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ACAC_YEAST_18_567

Acetyl-CoA carboxylase

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ACAC_YEAST):D: Biotin carboxylation (69, 72, 73, 76, 77, 80, 389, 392, 393, 396:398, 454, 485:487, 489, 510:512)
D: ATP-grasp (389, 392, 393, 396:398)
69, 72, 73, 76, 77, 80, 389, 392, 393, 396:398, 454, 485:487, 489, 510:512

Full PDB list

1w93, 1w96, 5csk, 5csl (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
6
9
K
7
3
R
7
6
S
7
7
K
8
0
P
3
8
9
E
3
9
2
M
3
9
3
G
3
9
6
V
3
9
7
N
3
9
8
C
4
5
4
V
4
8
6
W
4
8
7
F
5
1
0
F
5
1
2
[1]1w96.b s1a37 . . . . . . . . . . . . . . . .
[2]5csk.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
I
6
9
V
7
2
K
7
3
R
7
6
S
7
7
K
8
0
P
3
8
9
E
3
9
2
M
3
9
3
G
3
9
6
V
3
9
7
N
3
9
8
C
4
5
4
N
4
8
5
V
4
8
6
W
4
8
7
Y
4
8
9
F
5
1
0
A
5
1
1
F
5
1
2
[1]1w96.b . . . . . . . . . . . . . . . . . . . .
[2]5csk.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
1w96.b:s1a
5csk.a is apo
[1] 1w96.b
0
-
[2] 5csk.a 8.1
-
[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
1w96.b
5csk.a
[1] 1w96.b
0
.40
[2] 5csk.a .40
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.0 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
1w96.b
5csk.a
[1] 1w96.b
0
1.2
[2] 5csk.a 1.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.6 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
1w96.b
5csk.a
[1] 1w96.b
0
2.0
[2] 5csk.a 2.0
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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