MolNFT v1 · #64361 · protein
Crystal structure of nitroreductase family protein (YP_877874.1) from clostridium novyi nt at 1.75 a resolution
3G14: “Crystal structure of nitroreductase family protein (YP_877874.1) from clostridium novyi nt at 1.75 a…”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.52). MolNFT v1 #64361 on GenesisL1: 3D structure, binding…
- PDB
- 3G14
- Type
- protein
- Length
- 355 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitroreductase family protein
- UniProt
- A0PZS2
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitroreductase family protein | protein | 176 | 43% helix, 22% strand | A0PZS2 |
| B | Nitroreductase family protein | protein | 179 | 42% helix, 22% strand | A0PZS2 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- ACT · Acetate ion · additive · 4 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 162 | 0.52 | 0.79 | 27 | ACT, SO4 |
| 2 | 133 | 0.47 | 0.78 | 22 | ACT |
| 3 | 82 | 0.32 | 0.74 | 17 | SO4, GOL |
Interfaces
1 interface between chains.
- A–B · 1797 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 3G14 · Crystal structure of nitroreductase family protein (YP_877874.1) from Clostridium novyi… · 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 A0PZS2
- Elsewhere: RCSB PDB 3G14 · PDBe 3G14 · UniProt A0PZS2
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