Research workbench
Plp-dependent acyl-CoA transferase cqsa
Analyse Plp-dependent acyl-CoA transferase cqsa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3KKI
- Type
- protein
- Length
- 772 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cai-1 autoinducer synthase
- EC
- 2.3.-.-
- UniProt
- Q9KM65
- Ligands
- PLP, MG, SO4
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cai-1 autoinducer synthase (EC 2.3.-.-) | protein | 386 | 45% helix, 15% strand | Q9KM65 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 569 | 0.84 | 0.89 | 117 | PLP, MG, SO4, DTT |
| 2 | 454 | 0.73 | 0.82 | 68 | empty |
| 3 | 53 | 0.71 | 0.98 | 19 | empty |
| 4 | 180 | 0.65 | 0.85 | 40 | empty |
| 5 | 290 | 0.61 | 0.79 | 39 | empty |
Interfaces
1 interface between chains.
- A–B · 4270 Ų buried · 42 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 Q9KM65
- Elsewhere: RCSB PDB 3KKI · PDBe 3KKI · UniProt Q9KM65
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