MolNFT v1 · #185662 · protein
Structure of wrba from yersinia pseudotuberculosis in C2221
7Q6O · NAD(P)H dehydrogenase (quinone): “Structure of wrba from yersinia pseudotuberculosis in C2221”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.48). MolNFT v1 #185662 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7Q6O
- Type
- protein
- Length
- 391 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NAD(P)H dehydrogenase (quinone)
- EC
- 1.6.5.2
- UniProt
- Q66BP3
- Ligands
- CL
- Pockets
- 3 · best druggability 0.48
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NAD(P)H dehydrogenase (quinone) (EC 1.6.5.2) | protein | 208 | 38% helix, 20% strand | Q66BP3 |
| B | NAD(P)H dehydrogenase (quinone) (EC 1.6.5.2) | protein | 183 | 39% helix, 22% strand | Q66BP3 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 163 | 0.48 | 0.77 | 23 | CL |
| 2 | 93 | 0.38 | 0.76 | 17 | CL |
| 3 | 68 | 0.31 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1131 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 7Q6O · Structure of WrbA from Yersinia pseudotuberculosis in C2221 · the same entry in another collection · chain A against A, TM-score 1.00
- Q66BP3 · AlphaFold monomer V2.0 prediction for NAD(P)H dehydrogenase (quinone) (Q66BP3) · a predicted model of the same protein · chain B 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 Q66BP3
- Elsewhere: RCSB PDB 7Q6O · PDBe 7Q6O · UniProt Q66BP3
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