MolNFT v1 · #107418 · protein
Crystal structure of nqra in spacegroup P21
4U9Q · Na(+)-translocating NADH-quinone reductase subunit a: “Crystal structure of nqra in spacegroup P21”. X-ray diffraction, 5 pockets (best druggability 0.79). MolNFT v1 #107418 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4U9Q
- Type
- protein
- Length
- 607 residues
- Chains
- 2
- 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
- 5 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Na(+)-translocating NADH-quinone reductase subunit a (EC 1.6.5.-) | protein | 304 | 21% helix, 33% strand | Q9KPS1 |
| B | Na(+)-translocating NADH-quinone reductase subunit a (EC 1.6.5.-) | protein | 303 | 21% helix, 34% strand | Q9KPS1 |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1116 | 0.79 | 0.80 | 97 | empty |
| 2 | 82 | 0.37 | 0.76 | 21 | empty |
| 3 | 56 | 0.36 | 0.79 | 17 | empty |
| 4 | 65 | 0.28 | 0.73 | 19 | empty |
| 5 | 67 | 0.28 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 745 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
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 4U9Q · PDBe 4U9Q · UniProt Q9KPS1
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