MolNFT v1 · #47188 · protein
Structural genomics, the crystal structure of a putative hydroxylase from rhodococcus sp. RHA1
2OR0: “Structural genomics, the crystal structure of a putative hydroxylase from rhodococcus sp. RHA1”. X-ray diffraction, 7 pockets (best druggability 0.77). MolNFT v1 #47188 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2OR0
- Type
- protein
- Length
- 794 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxylase
- UniProt
- Q0S6I7
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxylase | protein | 385 | 59% helix, 14% strand | Q0S6I7 |
| B | Hydroxylase | protein | 409 | 57% helix, 14% strand | Q0S6I7 |
Ligands and binding sites
- ACT · Acetate ion · additive · 12 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 732 | 0.77 | 0.82 | 85 | ACT |
| 2 | 619 | 0.67 | 0.76 | 80 | ACT |
| 3 | 50 | 0.52 | 0.88 | 16 | ACT |
| 4 | 104 | 0.45 | 0.79 | 17 | empty |
| 5 | 93 | 0.45 | 0.80 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1593 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 23 modified (engineered).
Compared structures
- 2OR0 · Structural Genomics, the crystal structure of a putative hydroxylase from Rhodococcus sp.… · 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 Q0S6I7
- Elsewhere: RCSB PDB 2OR0 · PDBe 2OR0 · UniProt Q0S6I7
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