MolNFT v1 · #147097 · protein
Crystal structure of NADH:QUINONE reductase PA1024 from pseudomonas aeruginosa PAO1 in complex with NAD+
6E2A · Nitronate monooxygenase: “Crystal structure of NADH:QUINONE reductase PA1024 from pseudomonas aeruginosa PAO1 in complex with NAD+”. X-ray diffraction, 2 ligands (FMN, NAD), 3 pockets (best druggability 0.81). MolNFT v1 #147097 on…
- PDB
- 6E2A
- Type
- protein
- Length
- 326 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitronate monooxygenase
- EC
- 1.13.12.16
- UniProt
- Q9I4V0
- Ligands
- FMN, NAD
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitronate monooxygenase (EC 1.13.12.16) | protein | 326 | 44% helix, 14% strand | Q9I4V0 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
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 | 911 | 0.81 | 0.83 | 83 | FMN, NAD |
| 2 | 57 | 0.34 | 0.77 | 19 | empty |
| 3 | 76 | 0.32 | 0.74 | 19 | empty |
Compared structures
- 6E2A · Crystal structure of NADH:qui reductase PA1024 from Pseudomonas aeruginosa PAO1 in… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I4V0 · AlphaFold monomer V2.0 prediction for NADH:QUINONE reductase (Q9I4V0) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9I4V0
- Elsewhere: RCSB PDB 6E2A · PDBe 6E2A · UniProt Q9I4V0
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