MolNFT v1 · #46318 · protein
Crystal structure of putative transcriptional regulator RHA1_RO06953 (iclr-family) from rhodococcus sp.
2O0Y: “Crystal structure of putative transcriptional regulator RHA1_RO06953 (iclr-family) from rhodococcus sp.”. X-ray diffraction, 13 pockets (best druggability 0.70). MolNFT v1 #46318 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2O0Y
- Type
- protein
- Length
- 994 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator
- UniProt
- Q0S167
- Pockets
- 13 · best druggability 0.70
Structure
x-ray diffraction · 4 distinct chains · 47% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator | protein | 242 | 48% helix, 21% strand | Q0S167 |
| B | Transcriptional regulator | protein | 244 | 47% helix, 22% strand | Q0S167 |
| C | Transcriptional regulator | protein | 255 | 46% helix, 20% strand | Q0S167 |
| D | Transcriptional regulator | protein | 253 | 46% helix, 20% strand | Q0S167 |
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1028 | 0.70 | 0.74 | 73 | empty |
| 2 | 815 | 0.69 | 0.75 | 68 | empty |
| 3 | 308 | 0.66 | 0.81 | 54 | empty |
| 4 | 246 | 0.55 | 0.77 | 31 | empty |
| 5 | 137 | 0.47 | 0.78 | 23 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2229 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 2028 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 454 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 241 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 231 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 2O0Y · Crystal structure of putative transcriptional regulator RHA1_ro06953 (IclR-family) from… · 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 Q0S167
- Elsewhere: RCSB PDB 2O0Y · PDBe 2O0Y · UniProt Q0S167
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