MolNFT v1 · #39924 · protein
The crystal structure of a putative transcriptional regulator RHA06195 from rhodococcus sp. RHA1
2IA2: “The crystal structure of a putative transcriptional regulator RHA06195 from rhodococcus sp. RHA1”. X-ray diffraction, 8 pockets (best druggability 0.68). MolNFT v1 #39924 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2IA2
- Type
- protein
- Length
- 988 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative transcriptional regulator
- UniProt
- Q2F1F8
- Pockets
- 8 · best druggability 0.68
Structure
x-ray diffraction · 4 distinct chains · 49% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative transcriptional regulator | protein | 250 | 49% helix, 21% strand | Q2F1F8 |
| B | Putative transcriptional regulator | protein | 246 | 46% helix, 22% strand | Q2F1F8 |
| C | Putative transcriptional regulator | protein | 247 | 49% helix, 22% strand | Q2F1F8 |
| D | Putative transcriptional regulator | protein | 245 | 51% helix, 21% strand | Q2F1F8 |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.68 | 0.97 | 26 | empty |
| 2 | 452 | 0.62 | 0.76 | 54 | empty |
| 3 | 297 | 0.56 | 0.77 | 36 | empty |
| 4 | 139 | 0.53 | 0.80 | 21 | empty |
| 5 | 106 | 0.47 | 0.79 | 20 | empty |
Interfaces
5 interfaces between chains.
- A–D · 2226 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 2117 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 718 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 693 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 149 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 2IA2 · The crystal structure of a putative transcriptional regulator RHA06195 from Rhodococcus… · the same entry in another collection · chain B against B, 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 Q2F1F8
- Elsewhere: RCSB PDB 2IA2 · PDBe 2IA2 · UniProt Q2F1F8
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