MolNFT v1 · #92462 · protein
Crystal structure of a putative nitroreductase from geobacter sulfurreducens pca (target psi-013445)
4G8S · Nitroreductase family protein: “Crystal structure of a putative nitroreductase from geobacter sulfurreducens pca (target psi-013445)”. X-ray diffraction, 1 ligand (FMN), 4 pockets (best druggability 0.65). MolNFT v1 #92462 on…
- PDB
- 4G8S
- Type
- protein
- Length
- 363 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitroreductase family protein
- UniProt
- Q74GM9
- Ligands
- FMN
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitroreductase family protein | protein | 182 | 41% helix, 20% strand | Q74GM9 |
| B | Nitroreductase family protein | protein | 181 | 40% helix, 20% strand | Q74GM9 |
Ligands and binding sites
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 | 124 | 0.65 | 0.88 | 28 | FMN |
| 2 | 102 | 0.60 | 0.86 | 26 | FMN |
| 3 | 64 | 0.33 | 0.76 | 15 | empty |
| 4 | 52 | 0.28 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 2250 Ų buried · 51 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 4G8S · Crystal Structure Of a Putative Nitroreductase from Geobacter sulfurreducens PCA (Target… · 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 Q74GM9
- Elsewhere: RCSB PDB 4G8S · PDBe 4G8S · UniProt Q74GM9
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