Research workbench
Acetoacetyl-CoA synthetase from streptomyces lividans
Analyse Acetoacetyl-CoA synthetase from streptomyces lividans in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WD1
- Type
- protein
- Length
- 646 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetoacetate-CoA ligase
- UniProt
- D6EQU8
- Ligands
- CA
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetoacetate-CoA ligase | protein | 646 | 35% helix, 23% strand | D6EQU8 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 22 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 986 | 0.81 | 0.82 | 96 | EDO |
| 2 | 57 | 0.70 | 0.97 | 26 | empty |
| 3 | 117 | 0.57 | 0.84 | 24 | EDO |
| 4 | 126 | 0.45 | 0.78 | 20 | EDO |
| 5 | 130 | 0.44 | 0.77 | 29 | EDO |
Compared structures
- 4WD1 · Acetoacetyl-CoA Synthetase from Streptomyces lividans · 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 D6EQU8
- Elsewhere: RCSB PDB 4WD1 · PDBe 4WD1 · UniProt D6EQU8
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