MolNFT v1 · #158036 · protein
Pseudomonas fluorescens isocyanide hydratase at 274 K G150A mutant
6NI5 · Isonitrile hydratase inha: “Pseudomonas fluorescens isocyanide hydratase at 274 K G150A mutant”. X-ray diffraction, 3 pockets (best druggability 0.58). MolNFT v1 #158036 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6NI5
- Type
- protein
- Length
- 456 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isonitrile hydratase inha
- UniProt
- Q4K977
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isonitrile hydratase inha | protein | 227 | 42% helix, 19% strand | Q4K977 |
| B | Isonitrile hydratase inha | protein | 229 | 42% helix, 19% strand | Q4K977 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 232 | 0.58 | 0.79 | 27 | empty |
| 2 | 250 | 0.57 | 0.78 | 27 | empty |
| 3 | 60 | 0.30 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2507 Ų buried · 46 hydrogen bonds · protein-protein
Compared structures
- 6NI5 · Pseudomonas fluorescens isocyanide hydratase at 274 K G150A mutant · 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 Q4K977
- Elsewhere: RCSB PDB 6NI5 · PDBe 6NI5 · UniProt Q4K977
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