MolNFT v1 · #66377 · protein
Crystal structure of FMN-dependent nitroreductase BF3017 from bacteroides fragilis nctc 9343 (YP_212631.1) from bacteroides fragilis nctc 9343 at 1.55 a resolution
3HOI: “Crystal structure of FMN-dependent nitroreductase BF3017 from bacteroides fragilis nctc 9343 (YP_212631.1)…”. X-ray diffraction, 3 ligands (FMN, UNL, SO4), 1 pocket (best druggability 0.44). MolNFT v1 #66377 on GenesisL1: 3D…
- PDB
- 3HOI
- Type
- protein
- Length
- 193 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FMN-dependent nitroreductase BF3017
- UniProt
- Q5LB10
- Ligands
- FMN, UNL, SO4
- Pockets
- 1 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FMN-dependent nitroreductase BF3017 | protein | 193 | 35% helix, 26% strand | Q5LB10 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- UNL · Unknown ligand · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- FLC · Citrate anion · 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 | 134 | 0.44 | 0.76 | 20 | empty |
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 3HOI · Crystal structure of FMN-dependent nitroreductase BF3017 from Bacteroides fragilis NCTC… · 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 Q5LB10
- Elsewhere: RCSB PDB 3HOI · PDBe 3HOI · UniProt Q5LB10
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