MolNFT v1 · #38782 · protein
Corrinoid iron-sulfur protein
2H9A · Carbon monoxide dehydrogenase CORRINOID/IRON-sulfur…: “Corrinoid iron-sulfur protein”. X-ray diffraction, 3 ligands (B12, SF4, IOD), 4 pockets (best druggability 0.78). MolNFT v1 #38782 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2H9A
- Type
- protein
- Length
- 690 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbon monoxide dehydrogenase CORRINOID/IRON-sulfur protein, gamma subunit; Co…
- UniProt
- Q3ACS3, Q3ACS0
- Ligands
- B12, SF4, IOD
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbon monoxide dehydrogenase CORRINOID/IRON-sulfur protein, gamma subunit | protein | 383 | 44% helix, 20% strand | Q3ACS3 |
| B | Co DEHYDROGENASE/ACETYL-CoA synthase, iron-sulfur protein | protein | 307 | 46% helix, 15% strand | Q3ACS0 |
Ligands and binding sites
- B12 · Cobalamin · ligand · chains A, B
- SF4 · Iron/sulfur cluster · ligand
- IOD · Iodide ion · ion · 16 copies · chains A, B
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 | 1139 | 0.78 | 0.79 | 111 | B12, IOD |
| 2 | 149 | 0.42 | 0.74 | 25 | IOD |
| 3 | 66 | 0.34 | 0.77 | 14 | empty |
| 4 | 80 | 0.34 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2167 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 2H9A · Corrinoid Iron-Sulfur Protein · 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 Q3ACS3
- Every structure of UniProt Q3ACS0
- Elsewhere: RCSB PDB 2H9A · PDBe 2H9A · UniProt Q3ACS3 · UniProt Q3ACS0
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