MolNFT v1 · #180749 · protein
Pseudomonas fluorescens G150A isocyanide hydratase (G150A-2) at 274K, REFMAC5-refined
7LA0 · Isonitrile hydratase inha: “Pseudomonas fluorescens G150A isocyanide hydratase (G150A-2) at 274K, REFMAC5-refined”. X-ray diffraction, 3 pockets (best druggability 0.58). MolNFT v1 #180749 on GenesisL1: 3D structure, binding sites…
- PDB
- 7LA0
- 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 | 41% 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 | 223 | 0.58 | 0.80 | 27 | empty |
| 2 | 247 | 0.56 | 0.78 | 25 | empty |
| 3 | 51 | 0.30 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2506 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 7LA0 · Pseudomonas fluorescens G150A isocyanide hydratase (G150A-2) at 274K, Refmac5-refined · 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 7LA0 · PDBe 7LA0 · UniProt Q4K977
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