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CGGR_BACSU_86_340

Central glycolytic genes regulator [SorC transcriptional regulatory family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CGGR_BACSU):R: Effector binding (149:152)
R: Effector binding (250, 251)
148, 175, 177, 178, 180, 184, 185, 240:242, 247, 269:271, 310
148:152, 175, 177, 178, 180, 184, 185, 240:242, 247, 250, 251, 269:271, 310

Full PDB list

2okg, 3bxe, 3bxf, 3bxg, 3bxh

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
T
1
4
8
G
1
4
9
G
1
5
0
T
1
5
1
T
1
5
2
R
1
7
5
L
1
7
8
E
1
8
0
Q
1
8
5
G
2
4
0
I
2
4
1
G
2
4
2
M
2
4
7
R
2
5
0
R
2
5
1
E
2
6
9
A
2
7
0
F
2
7
1
K
3
1
0
[1]2okg.a none . . . . . . . - . . . . * . . . . . .
[1]2okg.b g3h10 . . . . . . . . . . . . * . . . . . .
[1]3bxe.a 13p10 . . . . . . . . . . . . . . . . . . .
[1]3bxf.a fbp20 . . . . . . . . . . . . . . . . . . .
[1]3bxg.a bg616 . . . . . . . . . . . . . . . . . . .
[1]3bxh.a f6p16 . . . . . . . . . . . . . . . . . . .

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

[download in TSV format]
   
PDB.ch
A1
T
1
4
8
G
1
4
9
G
1
5
0
T
1
5
1
T
1
5
2
R
1
7
5
G
1
7
7
L
1
7
8
E
1
8
0
N
1
8
4
Q
1
8
5
G
2
4
0
I
2
4
1
G
2
4
2
M
2
4
7
R
2
5
0
R
2
5
1
E
2
6
9
A
2
7
0
F
2
7
1
K
3
1
0
[1]2okg.a . . . . . . . . - . . . . . * . . . . . .
[1]2okg.b . . . . . . . . . . . . . . * . . . . . .
[1]3bxe.a . . . . . . . . . . . . . . . . . . . . .
[1]3bxf.a . . . . . . . . . . . . . . . . . . . . .
[1]3bxg.a . . . . . . . . * . . . . . . . . . . . .
[1]3bxh.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
2okg.a is apo
2okg.b:g3h
3bxe.a:13p
3bxf.a:fbp
3bxg.a:bg6
3bxh.a:f6p
[1] 2okg.a
-
0.1 0.1 0.2 0.1 0.2
[1] 2okg.b -
0
0 1.4 0 0.3
[1] 3bxe.a - 0
0
1.7 0 0.4
[1] 3bxf.a - 0 0
0.1
0 0.1
[1] 3bxg.a - 0.3 0 1.7
0
0.2
[1] 3bxh.a - 0.1 0 1.5 0
0.2
[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
2okg.a
2okg.b
3bxe.a
3bxf.a
3bxg.a
3bxh.a
[1] 2okg.a
0
.07 .07 0 .08 .07
[1] 2okg.b .07
0
.01 .06 .03 .03
[1] 3bxe.a .07 .01
0
.08 .02 .02
[1] 3bxf.a 0 .06 .08
0
.08 .07
[1] 3bxg.a .08 .03 .02 .08
0
.02
[1] 3bxh.a .07 .03 .02 .07 .02
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
2okg.a
2okg.b
3bxe.a
3bxf.a
3bxg.a
3bxh.a
[1] 2okg.a
0
2.2 2.5 0.6 2.3 2.3
[1] 2okg.b 2.2
0
0.8 2.9 0.4 0.4
[1] 3bxe.a 2.5 0.8
0
3.1 0.7 0.7
[1] 3bxf.a 0.6 2.9 3.1
0
3.0 3.0
[1] 3bxg.a 2.3 0.4 0.7 3.0
0
0.1
[1] 3bxh.a 2.3 0.4 0.7 3.0 0.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.7 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
2okg.a
2okg.b
3bxe.a
3bxf.a
3bxg.a
3bxh.a
[1] 2okg.a
0
3.2 3.3 1.1 3.3 3.3
[1] 2okg.b 3.2
0
0.8 4.5 0.7 0.6
[1] 3bxe.a 3.3 0.8
0
4.5 0.6 0.6
[1] 3bxf.a 1.1 4.5 4.5
0
4.5 4.5
[1] 3bxg.a 3.3 0.7 0.6 4.5
0
0.2
[1] 3bxh.a 3.3 0.6 0.6 4.5 0.2
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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