MolNFT v1 · #1520 · protein

Structure of the oligomerization domain of the arginine repressor from bacillus stearothermophilus

1B4B: “Structure of the oligomerization domain of the arginine repressor from bacillus stearothermophilus”. X-ray diffraction, 1 ligand (ARG), 3 pockets (best druggability 0.44). MolNFT v1 #1520 on GenesisL1: 3D structure, binding sites…

PDB: 1B4B
Type: protein
Length: 213 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Arginine repressor
UniProt: O31408
Ligands: ARG
Pockets: 3 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Arginine repressor	protein	71	38% helix, 35% strand	O31408

Ligands and binding sites

ARG · Arginine · ligand · 3 copies · chains A, C, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	65	0.44	0.82	19	empty
2	70	0.40	0.80	15	empty
3	70	0.37	0.78	16	empty

Interfaces

3 interfaces between chains.

B–C · 493 Å² buried · 5 hydrogen bonds · protein-protein
A–C · 477 Å² buried · 4 hydrogen bonds · protein-protein
A–B · 444 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

1B4B · Structure of the oligomerization domain of the arginine repressor from bacillus… · the same entry in another collection · chain A against A, TM-score 1.00
O31408 · AlphaFold monomer V2.0 prediction for arginine repressor (O31408) · a predicted model of the same protein · chain B against A, TM-score 0.98

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt O31408
Elsewhere: RCSB PDB 1B4B · PDBe 1B4B · UniProt O31408

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