MolNFT v1 · #47168 · protein
Arsr-like transcriptional regulator from rhodococcus sp. RHA1
2OQG · Possible transcriptional regulator, arsr family protein: “Arsr-like transcriptional regulator from rhodococcus sp. RHA1”. X-ray diffraction, 1 pocket (best druggability 0.56). MolNFT v1 #47168 on GenesisL1: 3D structure, binding…
- PDB
- 2OQG
- Type
- protein
- Length
- 430 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Possible transcriptional regulator, arsr family protein
- UniProt
- Q0S8Y1
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · 3 distinct chains · 69% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Possible transcriptional regulator, arsr family protein | protein | 109 | 67% helix, 12% strand | Q0S8Y1 |
| B | Possible transcriptional regulator, arsr family protein | protein | 109 | 69% helix, 12% strand | Q0S8Y1 |
| C, D | Possible transcriptional regulator, arsr family protein | protein | 106 | 70% helix, 12% strand | Q0S8Y1 |
Ligands and binding sites
- ACY · Acetic acid · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 124 | 0.56 | 0.83 | 28 | ACY |
Interfaces
6 interfaces between chains.
- B–D · 1658 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 1585 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 294 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 258 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 227 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 2OQG · ArsR-like Transcriptional Regulator from Rhodococcus sp. RHA1 · the same entry in another collection · chain A against A, TM-score 1.00
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 Q0S8Y1
- Elsewhere: RCSB PDB 2OQG · PDBe 2OQG · UniProt Q0S8Y1
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