MolNFT v1 · #22065 · protein
Carbon monoxide dehydrogenase from carboxydothermus hydrogenoformans- dtt reduced state
1SU7 · Carbon monoxide dehydrogenase 2: “Carbon monoxide dehydrogenase from carboxydothermus hydrogenoformans- dtt reduced state”. X-ray diffraction, 3 ligands (SF4, FES, NFS), 5 pockets (best druggability 0.58). MolNFT v1 #22065 on…
- PDB
- 1SU7
- Type
- protein
- Length
- 633 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbon monoxide dehydrogenase 2
- EC
- 1.2.99.2
- UniProt
- Q9F8A8
- Ligands
- SF4, FES, NFS
- Pockets
- 5 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbon monoxide dehydrogenase 2 (EC 1.2.99.2) | protein | 633 | 53% helix, 11% strand | Q9F8A8 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · chains A
- FES · Fe2/s2 (inorganic) cluster · ligand · chains A
- NFS · FE(4)-NI(1)-S(5) cluster · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 394 | 0.58 | 0.75 | 51 | empty |
| 2 | 140 | 0.44 | 0.76 | 21 | empty |
| 3 | 68 | 0.29 | 0.74 | 17 | empty |
| 4 | 54 | 0.29 | 0.75 | 23 | empty |
| 5 | 66 | 0.28 | 0.72 | 16 | empty |
Compared structures
- 1SU7 · Carbon Monoxide Dehydrogenase from Carboxydothermus hydrogenoformans- DTT reduced state · the same entry in another collection · chain A against A, TM-score 1.00
- Q9F8A8 · AlphaFold monomer V2.0 prediction for carbon monoxide dehydrogenase 2 (Q9F8A8) · 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 Q9F8A8
- Elsewhere: RCSB PDB 1SU7 · PDBe 1SU7 · UniProt Q9F8A8
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