MolNFT v1 · #107416 · protein
Crystal structure of nqra from vibrio cholerae
4U9O · Na(+)-translocating NADH-quinone reductase subunit a: “Crystal structure of nqra from vibrio cholerae”. X-ray diffraction, 3 pockets (best druggability 0.53). MolNFT v1 #107416 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4U9O
- Type
- protein
- Length
- 303 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Na(+)-translocating NADH-quinone reductase subunit a
- EC
- 1.6.5.-
- UniProt
- Q9KPS1
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Na(+)-translocating NADH-quinone reductase subunit a (EC 1.6.5.-) | protein | 303 | 22% helix, 33% strand | Q9KPS1 |
Ligands and binding sites
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · 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 | 244 | 0.53 | 0.76 | 27 | empty |
| 2 | 103 | 0.39 | 0.76 | 21 | empty |
| 3 | 75 | 0.30 | 0.73 | 18 | empty |
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 4U9O · Crystal structure of NqrA from Vibrio cholerae · the same entry in another collection · chain A against A, TM-score 1.00
- Q9KPS1 · AlphaFold monomer V2.0 prediction for na(+)-translocating NADH- quinone reductase subunit… · 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 Q9KPS1
- Elsewhere: RCSB PDB 4U9O · PDBe 4U9O · UniProt Q9KPS1
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