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Crystal structure of [fefe]-hydrogenase CBA5H (partial) from clostridium beijerinckii in hinact state
Analyse Crystal structure of [fefe]-hydrogenase CBA5H (partial) from clostridium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6TTL
- Type
- protein
- Length
- 958 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- [fefe]-hydrogenase
- UniProt
- A0A1I9RYV3
- Ligands
- 402, SF4
- Pockets
- 12 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | [fefe]-hydrogenase | protein | 479 | 46% helix, 11% strand | A0A1I9RYV3 |
Ligands and binding sites
- 402 · dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+) · ligand · 2 copies · chains A, B
- SF4 · Iron/sulfur cluster · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 494 | 0.74 | 0.83 | 56 | empty |
| 2 | 86 | 0.74 | 0.96 | 27 | 402, SF4 |
| 3 | 390 | 0.73 | 0.84 | 43 | empty |
| 4 | 89 | 0.72 | 0.94 | 28 | 402, SF4 |
| 5 | 672 | 0.68 | 0.76 | 73 | empty |
Interfaces
1 interface between chains.
- A–B · 1354 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 6TTL · crystal structure of [FeFe]-hydrogenase CbA5H (partial) from Clostridium beijerinckii in… · 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 A0A1I9RYV3
- Elsewhere: RCSB PDB 6TTL · PDBe 6TTL · UniProt A0A1I9RYV3
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