MolNFT v1 · #58478 · protein
NI,FE-codh-320 mv state
3B53 · Carbon monoxide dehydrogenase 2: “NI,FE-codh-320 mv state”. X-ray diffraction, 4 ligands (SF4, FES, WCC), 4 pockets (best druggability 0.57). MolNFT v1 #58478 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3B53
- 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, WCC, FE2
- Pockets
- 4 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Carbon monoxide dehydrogenase 2 (EC 1.2.99.2) | protein | 633 | 53% helix, 12% strand | Q9F8A8 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · chains X
- FES · Fe2/s2 (inorganic) cluster · ligand · chains X
- WCC · FE(3)-NI(1)-S(4) cluster · ligand · chains X
- FE2 · Fe (II) ion · metal · chains X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 373 | 0.57 | 0.75 | 46 | empty |
| 2 | 165 | 0.47 | 0.76 | 22 | empty |
| 3 | 59 | 0.26 | 0.72 | 19 | empty |
| 4 | 51 | 0.24 | 0.72 | 13 | empty |
Compared structures
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 3B53 · PDBe 3B53 · UniProt Q9F8A8
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