MolNFT v1 · #161745 · protein
I47W mutated sulfur oxygenase reductase from acidianus ambivaens
6QO0 · Sulfur OXYGENASE/REDUCTASE: “I47W mutated sulfur oxygenase reductase from acidianus ambivaens”. X-ray diffraction, 1 ligand (FE), 19 pockets (best druggability 0.82). MolNFT v1 #161745 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6QO0
- Type
- protein
- Length
- 1,228 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfur OXYGENASE/REDUCTASE
- EC
- 1.13.11.55
- UniProt
- P29082
- Ligands
- FE
- Pockets
- 19 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Sulfur OXYGENASE/REDUCTASE (EC 1.13.11.55) | protein | 307 | 36% helix, 30% strand | P29082 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 210 | 0.82 | 0.95 | 41 | empty |
| 2 | 207 | 0.81 | 0.94 | 38 | FE |
| 3 | 244 | 0.80 | 0.92 | 47 | empty |
| 4 | 234 | 0.80 | 0.93 | 41 | empty |
| 5 | 945 | 0.76 | 0.79 | 96 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1305 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1291 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 1289 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 1288 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 14 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6QO0 · I47W mutated sulfur oxygenase reductase from Acidianus ambivaens · the same entry in another collection · chain A against A, TM-score 1.00
- P29082 · AlphaFold monomer V2.0 prediction for sulfur OXYGENASE/REDUCTASE (P29082) · a predicted model of the same protein · 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 P29082
- Elsewhere: RCSB PDB 6QO0 · PDBe 6QO0 · UniProt P29082
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