MolNFT v1 · #179710 · protein
Crystal structure of acetyl-CoA synthetase 2 in complex with adenosine-5'-propylphosphate from candida albicans
7KDS · Acetyl-coenzyme a synthetase 2: “Crystal structure of acetyl-CoA synthetase 2 in complex with adenosine-5'-propylphosphate from candida…”. X-ray diffraction, 2 ligands (PRX, NA), 4 pockets (best druggability 0.79). MolNFT v1 #179710…
- PDB
- 7KDS
- Type
- protein
- Length
- 654 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyl-coenzyme a synthetase 2
- EC
- 6.2.1.1
- UniProt
- Q8NJN3
- Ligands
- PRX, NA
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyl-coenzyme a synthetase 2 (EC 6.2.1.1) | protein | 654 | 33% helix, 23% strand | Q8NJN3 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 753 | 0.79 | 0.83 | 78 | PRX |
| 2 | 70 | 0.53 | 0.87 | 23 | empty |
| 3 | 71 | 0.35 | 0.76 | 19 | empty |
| 4 | 77 | 0.31 | 0.74 | 17 | empty |
Compared structures
- 7KDS · Crystal structure of Acetyl-CoA synthetase 2 in complex with Adenosine-5'-propylphosphate… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8NJN3 · AlphaFold monomer V2.0 prediction for acetyl-coenzyme a synthetase 2 (Q8NJN3) · a predicted model of the same protein · 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 Q8NJN3
- Elsewhere: RCSB PDB 7KDS · PDBe 7KDS · UniProt Q8NJN3
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