Research workbench
Crystal structure of acetyl-CoA synthetase in complex with adenosine- 5'-ethylphosphate and co-enzyme a from coccidioides immitis rs
Analyse Crystal structure of acetyl-CoA synthetase in complex with adenosine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7KVY
- Type
- protein
- Length
- 633 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyl-coenzyme a synthetase
- EC
- 6.2.1.1
- UniProt
- J3KJC6
- Ligands
- COA, WTA
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyl-coenzyme a synthetase (EC 6.2.1.1) | protein | 633 | 33% helix, 25% strand | J3KJC6 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains A
- WTA · 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine · ligand · chains A
- EDO · 1,2-ethanediol · additive · 9 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 773 | 0.81 | 0.84 | 92 | COA, WTA |
| 2 | 65 | 0.46 | 0.83 | 22 | empty |
| 3 | 56 | 0.34 | 0.78 | 15 | empty |
| 4 | 59 | 0.28 | 0.73 | 12 | empty |
Compared structures
- 7KVY · Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate… · 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 J3KJC6
- Elsewhere: RCSB PDB 7KVY · PDBe 7KVY · UniProt J3KJC6
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