Research workbench
NI,FE-codh with N-butylisocyanate state
Analyse NI,FE-codh with N-butylisocyanate state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2YIV
- Type
- protein
- Length
- 635 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, YIV, NBN, FE
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Carbon monoxide dehydrogenase 2 (EC 1.2.99.2) | protein | 635 | 53% helix, 11% 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
- YIV · N-butylformamide · ligand · chains X
- NBN · N-butyl isocyanide · ligand · chains X
- FE · Fe (III) 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 588 | 0.75 | 0.81 | 95 | WCC, YIV, FE, NBN |
| 2 | 70 | 0.58 | 0.88 | 15 | empty |
| 3 | 164 | 0.48 | 0.77 | 24 | empty |
| 4 | 50 | 0.28 | 0.74 | 16 | 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 2YIV · PDBe 2YIV · UniProt Q9F8A8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.