MolNFT v1 · #189970 · protein
Crystal structure of co-type nitrile hydratase mutant from pseudonocardia thermophila - M46R
7W8L · Cobalt-containing nitrile hydratase subunit beta: “Crystal structure of co-type nitrile hydratase mutant from pseudonocardia thermophila - M46R”. X-ray diffraction, 1 ligand (CO), 9 pockets (best druggability 0.76). MolNFT v1…
- PDB
- 7W8L
- Type
- protein
- Length
- 428 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cobalt-containing nitrile hydratase subunit beta; Nitrile hydratase
- EC
- 4.2.1.84
- UniProt
- Q7SID3, A0A1M6Q338
- Ligands
- CO
- Pockets
- 9 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Cobalt-containing nitrile hydratase subunit beta (EC 4.2.1.84) | protein | 225 | 39% helix, 17% strand | Q7SID3 |
| A | Nitrile hydratase (EC 4.2.1.84) | protein | 203 | 48% helix, 12% strand | A0A1M6Q338 |
Ligands and binding sites
- CO · Cobalt (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 84 | 0.76 | 0.98 | 24 | empty |
| 2 | 85 | 0.53 | 0.85 | 29 | empty |
| 3 | 181 | 0.48 | 0.76 | 27 | empty |
| 4 | 134 | 0.44 | 0.76 | 16 | empty |
| 5 | 169 | 0.43 | 0.74 | 39 | empty |
Interfaces
1 interface between chains.
- B–A · 4392 Ų buried · 66 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 7W8L · Crystal Structure of Co-type nitrile hydratase mutant from Pseudonocardia thermophila… · the same entry in another collection · chain B against B, TM-score 1.00
- Q7SID3 · AlphaFold monomer V2.0 prediction for cobalt-containing nitrile hydratase subunit beta… · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q7SID3
- Every structure of UniProt A0A1M6Q338
- Elsewhere: RCSB PDB 7W8L · PDBe 7W8L · UniProt Q7SID3 · UniProt A0A1M6Q338
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.