MolNFT v1 · #156406 · protein
Crystal structure of sulfur oxygenase reductase from sulfurisphaera tokodaii
6M35 · Sulfur OXYGENASE/REDUCTASE: “Crystal structure of sulfur oxygenase reductase from sulfurisphaera tokodaii”. X-ray diffraction, 2 ligands (FE, SO4), 20 pockets (best druggability 0.88). MolNFT v1 #156406 on GenesisL1: 3D structure…
- PDB
- 6M35
- Type
- protein
- Length
- 2,480 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfur OXYGENASE/REDUCTASE
- EC
- 1.13.11.55
- UniProt
- Q972K4
- Ligands
- FE, SO4
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Sulfur OXYGENASE/REDUCTASE (EC 1.13.11.55) | protein | 310 | 38% helix, 30% strand | Q972K4 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 8 copies · chains A, B, C, D, E, F, G, H
- SO4 · Sulfate ion · ion · 7 copies · chains B, C, D, E, F, G, H
- GOL · Glycerol · additive · 10 copies · chains A, F, B, C, D, E, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 803 | 0.88 | 0.91 | 60 | empty |
| 2 | 780 | 0.88 | 0.91 | 58 | GOL |
| 3 | 780 | 0.88 | 0.91 | 60 | empty |
| 4 | 778 | 0.87 | 0.90 | 62 | empty |
| 5 | 791 | 0.84 | 0.86 | 96 | empty |
Interfaces
13 interfaces between chains.
- B–G · 2746 Ų buried · 56 hydrogen bonds · protein-protein
- D–H · 2728 Ų buried · 55 hydrogen bonds · protein-protein
- C–E · 2724 Ų buried · 54 hydrogen bonds · protein-protein
- A–F · 2721 Ų buried · 56 hydrogen bonds · protein-protein
- E–F · 1417 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6M35 · Crystal structure of sulfur oxygenase reductase from Sulfurisphaera tokodaii · 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 Q972K4
- Elsewhere: RCSB PDB 6M35 · PDBe 6M35 · UniProt Q972K4
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