MolNFT v1 · #83842 · protein
Crystal structure of NIT6803
3WUY · Nitrilase: “Crystal structure of NIT6803”. X-ray diffraction, 2 pockets (best druggability 0.68). MolNFT v1 #83842 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3WUY
- Type
- protein
- Length
- 574 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitrilase
- UniProt
- Q55949
- Pockets
- 2 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitrilase | protein | 287 | 38% helix, 26% strand | Q55949 |
| B | Nitrilase | protein | 287 | 38% helix, 25% strand | Q55949 |
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 548 | 0.68 | 0.78 | 43 | empty |
| 2 | 580 | 0.67 | 0.77 | 43 | empty |
Interfaces
1 interface between chains.
- A–B · 927 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 3WUY · Crystal structure of Nit6803 · 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 Q55949
- Elsewhere: RCSB PDB 3WUY · PDBe 3WUY · UniProt Q55949
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.