MolNFT v1 · #25921 · protein
As-isolated hybrid cluster protein from desulfovibrio vulgaris X-ray structure at 1.35A resolution using iron anomalous signal
1W9M · Hydroxylamine reductase: “As-isolated hybrid cluster protein from desulfovibrio vulgaris X-ray structure at 1.35A resolution using iron…”. X-ray diffraction, 2 ligands (SF4, FS2), 8 pockets (best druggability 0.69). MolNFT v1 #25921…
- PDB
- 1W9M
- Type
- protein
- Length
- 553 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxylamine reductase
- EC
- 1.7.-.-
- UniProt
- P31101
- Ligands
- SF4, FS2
- Pockets
- 8 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxylamine reductase (EC 1.7.-.-) | protein | 553 | 51% helix, 12% strand | P31101 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 56 | 0.69 | 0.97 | 19 | empty |
| 2 | 50 | 0.68 | 0.96 | 25 | empty |
| 3 | 54 | 0.52 | 0.86 | 19 | empty |
| 4 | 88 | 0.49 | 0.83 | 21 | empty |
| 5 | 104 | 0.45 | 0.79 | 18 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 1W9M · AS-isolated hybrid cluster protein from Desulfovibrio vulgaris X-ray structure at 1.35A… · the same entry in another collection · chain A against A, TM-score 1.00
- P31101 · AlphaFold monomer V2.0 prediction for hydroxylamine reductase (P31101) · 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 P31101
- Elsewhere: RCSB PDB 1W9M · PDBe 1W9M · UniProt P31101
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