MolNFT v1 · #46326 · protein
Crystal structure of a putative acetoin utilization protein (acub) from vibrio cholerae
2O16 · Acetoin utilization protein acub, putative: “Crystal structure of a putative acetoin utilization protein (acub) from vibrio cholerae”. X-ray diffraction, 1 ligand (PO4), 4 pockets (best druggability 0.67). MolNFT v1 #46326 on…
- PDB
- 2O16
- Type
- protein
- Length
- 267 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetoin utilization protein acub, putative
- UniProt
- Q9KTZ3
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetoin utilization protein acub, putative | protein | 132 | 42% helix, 26% strand | Q9KTZ3 |
| B | Acetoin utilization protein acub, putative | protein | 135 | 41% helix, 27% strand | Q9KTZ3 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 7 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 522 | 0.67 | 0.78 | 57 | empty |
| 2 | 217 | 0.61 | 0.81 | 28 | PO4 |
| 3 | 97 | 0.50 | 0.82 | 22 | PO4 |
| 4 | 65 | 0.44 | 0.82 | 18 | PO4 |
Interfaces
1 interface between chains.
- A–B · 907 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 2O16 · Crystal structure of a putative acetoin utilization protein (AcuB) from Vibrio cholerae · 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 Q9KTZ3
- Elsewhere: RCSB PDB 2O16 · PDBe 2O16 · UniProt Q9KTZ3
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