Research workbench
[fefe]-hydrogenase oxygen inactivation is initiated by the modification and degradation of the H cluster 2FE subcluster
Analyse [fefe]-hydrogenase oxygen inactivation is initiated by the modification and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4R0V
- Type
- protein
- Length
- 829 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fe-hydrogenase
- EC
- 1.18.99.1
- UniProt
- Q9FYU1
- Ligands
- SF4, ARS, CL
- Pockets
- 11 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fe-hydrogenase (EC 1.18.99.1) | protein | 419 | 42% helix, 14% strand | Q9FYU1 |
| B | Fe-hydrogenase (EC 1.18.99.1) | protein | 410 | 42% helix, 14% strand | Q9FYU1 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · 2 copies · chains A, B
- ARS · Arsenic · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 645 | 0.79 | 0.84 | 54 | SF4, CL |
| 2 | 664 | 0.78 | 0.83 | 59 | SF4, CL |
| 3 | 1056 | 0.77 | 0.79 | 86 | empty |
| 4 | 294 | 0.66 | 0.82 | 36 | empty |
| 5 | 62 | 0.56 | 0.89 | 17 | CL |
Interfaces
1 interface between chains.
- A–B · 630 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (oxidation).
Compared structures
- 4R0V · [FeFe]-hydrogenase Oxygen Inactivation is Initiated by the Modification and Degradation… · 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 Q9FYU1
- Elsewhere: RCSB PDB 4R0V · PDBe 4R0V · UniProt Q9FYU1
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