MolNFT v1 · #158039 · protein
Pseudomonas fluorescens isocyanide hydratase rotating anode 298K
6NI8 · Isonitrile hydratase inha: “Pseudomonas fluorescens isocyanide hydratase rotating anode 298K”. X-ray diffraction, 4 pockets (best druggability 0.59). MolNFT v1 #158039 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6NI8
- Type
- protein
- Length
- 456 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isonitrile hydratase inha
- EC
- 4.2.1.103
- UniProt
- Q4K977
- Pockets
- 4 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isonitrile hydratase inha (EC 4.2.1.103) | protein | 226 | 42% helix, 19% strand | Q4K977 |
| B | Isonitrile hydratase inha (EC 4.2.1.103) | protein | 230 | 41% helix, 20% strand | Q4K977 |
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 | 247 | 0.59 | 0.80 | 27 | empty |
| 2 | 245 | 0.58 | 0.79 | 26 | empty |
| 3 | 57 | 0.30 | 0.76 | 16 | empty |
| 4 | 52 | 0.28 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2567 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 6NI8 · Pseudomonas fluorescens isocyanide hydratase rotating anode 298K · 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 6NI8 · PDBe 6NI8 · UniProt Q4K977
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