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ARGR_MYCTU_92_170

Arginine repressor [ArgR family]

Composition of the binding site

Protein chains homotrimer
A1 (ARGR_MYCTU):125, 128, 129, 132, 142:144125, 128, 129, 132, 142:144
A2 (ARGR_MYCTU):118, 145:148118, 145:148
A4 (ARGR_MYCTU):121, 122, 146121, 122, 146

Full PDB list

2zfz, 3bue, 3cag, 3ere, 3fhz, 3laj, 3lap (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2 A4
H
1
2
5
A
1
2
8
S
1
2
9
D
1
3
2
T
1
4
2
I
1
4
3
A
1
4
4
R
1
1
8
G
1
4
5
D
1
4
6
D
1
4
7
T
1
4
8
P
1
2
1
G
1
2
2
D
1
4
6
[1]2zfz.c R12 . . . . . . . . . . . . . . .
[1]3bue.d none . . . . . . . . . . . . - - -
[1]3lap.a ggb12 . . . . . . . . . . . . . . .

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 A2 A4
H
1
2
5
A
1
2
8
S
1
2
9
D
1
3
2
T
1
4
2
I
1
4
3
A
1
4
4
R
1
1
8
G
1
4
5
D
1
4
6
D
1
4
7
T
1
4
8
P
1
2
1
G
1
2
2
D
1
4
6
[1]2zfz.c . . . . . . . . . . . . . . .
[1]3bue.d . . . . . . . . . . . . - - -
[1]3lap.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
2zfz.c:R
3bue.d is apo
3lap.a:ggb
[1] 2zfz.c
0
- 0.1
[1] 3bue.d 0.1
-
0
[1] 3lap.a 0 -
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
2zfz.c
3bue.d
3lap.a
[1] 2zfz.c
0
.01 .01
[1] 3bue.d .01
0
.01
[1] 3lap.a .01 .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.5 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
2zfz.c
3bue.d
3lap.a
[1] 2zfz.c
0
0.7 0.2
[1] 3bue.d 0.7
0
0.7
[1] 3lap.a 0.2 0.7
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 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
2zfz.c
3bue.d
3lap.a
[1] 2zfz.c
0
1.1 0.5
[1] 3bue.d 1.1
0
1.1
[1] 3lap.a 0.5 1.1
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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