Research workbench
Biosynthetic thiolase from zoogloea ramigera in complex with acetyl-O- pantetheine-11-pivalate
Analyse Biosynthetic thiolase from zoogloea ramigera in complex with acetyl-O… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1OU6
- Type
- protein
- Length
- 1,568 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyl-CoA acetyltransferase
- EC
- 2.3.1.9
- UniProt
- P07097
- Ligands
- 168, SO4
- Pockets
- 18 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Acetyl-CoA acetyltransferase (EC 2.3.1.9) | protein | 392 | 38% helix, 23% strand | P07097 |
Ligands and binding sites
- 168 · Pantothenyl-aminoethanol-acetate pivalic acid · ligand · 2 copies · chains A, D, B, C
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 121 | 0.79 | 0.98 | 33 | empty |
| 2 | 87 | 0.76 | 0.98 | 30 | empty |
| 3 | 187 | 0.62 | 0.83 | 27 | empty |
| 4 | 185 | 0.61 | 0.82 | 24 | 168 |
| 5 | 193 | 0.61 | 0.82 | 26 | 168 |
Interfaces
6 interfaces between chains.
- A–B · 2649 Ų buried · 75 hydrogen bonds · protein-protein
- C–D · 2643 Ų buried · 73 hydrogen bonds · protein-protein
- B–C · 707 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 677 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 293 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (oxidation).
Compared structures
- 1OU6 · Biosynthetic thiolase from Zoogloea ramigera in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P07097 · AlphaFold monomer V2.0 prediction for acetyl-CoA acetyltransferase (P07097) · 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 P07097
- Elsewhere: RCSB PDB 1OU6 · PDBe 1OU6 · UniProt P07097
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