MolNFT v1 · #74572 · protein
Crystal structure of azoreductase from bacillus anthracis str. sterne
3P0R: “Crystal structure of azoreductase from bacillus anthracis str. sterne”. X-ray diffraction, 2 ligands (SO4, CL), 1 pocket (best druggability 0.30). MolNFT v1 #74572 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3P0R
- Type
- protein
- Length
- 208 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Azoreductase
- UniProt
- C3P2H0
- Ligands
- SO4, CL
- Pockets
- 1 · best druggability 0.30
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Azoreductase | protein | 208 | 45% helix, 20% strand | C3P2H0 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.30 | 0.76 | 14 | SO4 |
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3P0R · Crystal structure of azoreductase from Bacillus anthracis str. Sterne · 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 C3P2H0
- Elsewhere: RCSB PDB 3P0R · PDBe 3P0R · UniProt C3P2H0
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