MolNFT v1 · #72984 · protein
Crystal structure of isocyanide hydratase from pseudomonas fluorescens
3NON: “Crystal structure of isocyanide hydratase from pseudomonas fluorescens”. X-ray diffraction, 4 pockets (best druggability 0.59). MolNFT v1 #72984 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3NON
- Type
- protein
- Length
- 456 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isocyanide hydratase
- EC
- 4.2.1.103
- UniProt
- Q4K977
- Pockets
- 4 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isocyanide hydratase (EC 4.2.1.103) | protein | 226 | 42% helix, 19% strand | Q4K977 |
| B | Isocyanide hydratase (EC 4.2.1.103) | protein | 230 | 41% helix, 19% strand | Q4K977 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
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 | 254 | 0.59 | 0.79 | 27 | EDO |
| 2 | 239 | 0.58 | 0.79 | 27 | EDO |
| 3 | 66 | 0.33 | 0.76 | 16 | empty |
| 4 | 52 | 0.27 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 2523 Ų buried · 46 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 3NON · Crystal Structure of Isocyanide Hydratase from Pseudomonas fluorescens · 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 3NON · PDBe 3NON · UniProt Q4K977
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.