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Crystal structure of a putative nitroreductase (AVA_2154) from anabaena variabilis atcc 29413 at 1.80 a resolution
Analyse Crystal structure of a putative nitroreductase (AVA_2154) from anabaena… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3EO7
- Type
- protein
- Length
- 487 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative nitroreductase
- UniProt
- Q3MB62
- Ligands
- FMN, CA, CL
- Pockets
- 7 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative nitroreductase | protein | 487 | 37% helix, 22% strand | Q3MB62 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- CA · Calcium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- ACT · Acetate ion · additive · 12 copies · chains A
- PGR · R-1,2-propanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 296 | 0.61 | 0.79 | 33 | FMN, CA |
| 2 | 203 | 0.52 | 0.77 | 30 | empty |
| 3 | 114 | 0.42 | 0.77 | 17 | PGR |
| 4 | 80 | 0.37 | 0.76 | 17 | empty |
| 5 | 57 | 0.35 | 0.78 | 11 | empty |
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 3EO7 · Crystal structure of a putative nitroreductase (ava_2154) from anabaena variabilis atcc… · 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 Q3MB62
- Elsewhere: RCSB PDB 3EO7 · PDBe 3EO7 · UniProt Q3MB62
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