MolNFT v1 · #50048 · protein
Crystal structure of gene product RHA04853 from rhodococcus sp. RHA1
2R6U · Uncharacterized protein: “Crystal structure of gene product RHA04853 from rhodococcus sp. RHA1”. X-ray diffraction, 6 pockets (best druggability 0.75). MolNFT v1 #50048 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2R6U
- Type
- protein
- Length
- 510 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q0S814
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 4 distinct chains · 18% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 130 | 17% helix, 42% strand | Q0S814 |
| B | Uncharacterized protein | protein | 123 | 18% helix, 43% strand | Q0S814 |
| C | Uncharacterized protein | protein | 126 | 20% helix, 43% strand | Q0S814 |
| D | Uncharacterized protein | protein | 131 | 18% helix, 42% strand | Q0S814 |
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 817 | 0.75 | 0.80 | 88 | empty |
| 2 | 353 | 0.66 | 0.80 | 48 | empty |
| 3 | 382 | 0.66 | 0.79 | 40 | empty |
| 4 | 324 | 0.61 | 0.78 | 39 | empty |
| 5 | 127 | 0.52 | 0.81 | 20 | empty |
Interfaces
5 interfaces between chains.
- A–C · 2154 Ų buried · 31 hydrogen bonds · protein-protein
- B–D · 2002 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 377 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 236 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 223 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2R6U · Crystal structure of gene product RHA04853 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 Q0S814
- Elsewhere: RCSB PDB 2R6U · PDBe 2R6U · UniProt Q0S814
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