Research workbench
Crystal structure of NAD(P)H nitroreductase from klebsiella pneumoniae (long B-axis)
Analyse Crystal structure of NAD(P)H nitroreductase from klebsiella pneumoniae (long… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7TMG
- Type
- protein
- Length
- 366 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NAD(P)H nitroreductase
- EC
- 1.-.-.-
- UniProt
- A0A237MVZ9
- Ligands
- FMN, PO4
- Pockets
- 4 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | NAD(P)H nitroreductase (EC 1.-.-.-) | protein | 183 | 42% helix, 19% strand | A0A237MVZ9 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 5 copies · chains A, B
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 | 252 | 0.58 | 0.78 | 39 | FMN, PO4 |
| 2 | 156 | 0.54 | 0.81 | 28 | FMN |
| 3 | 104 | 0.44 | 0.78 | 17 | PO4 |
| 4 | 120 | 0.37 | 0.73 | 27 | PO4 |
Interfaces
1 interface between chains.
- A–B · 2830 Ų buried · 38 hydrogen bonds · protein-protein
Compared structures
- 7TMG · Crystal Structure of NAD(P)H nitroreductase from Klebsiella pneumoniae (long b-axis) · 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 A0A237MVZ9
- Elsewhere: RCSB PDB 7TMG · PDBe 7TMG · UniProt A0A237MVZ9
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