MolNFT v1 · #62797 · protein
Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in a ternary complex with products
3EQ6 · Acyl-coenzyme a synthetase ACSM2A: “Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in a ternary…”. X-ray diffraction, 2 ligands (AMP, BCO), 9 pockets (best druggability 0.82). MolNFT v1…
- PDB
- 3EQ6
- Type
- protein
- Length
- 1,066 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-coenzyme a synthetase ACSM2A
- EC
- 6.2.1.2
- UniProt
- Q08AH3
- Ligands
- AMP, BCO
- Pockets
- 9 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Acyl-coenzyme a synthetase ACSM2A (EC 6.2.1.2) | protein | 533 | 32% helix, 26% strand | Q08AH3 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
- BCO · Butyryl Coenzyme A · ligand · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 826 | 0.82 | 0.85 | 99 | AMP, BCO |
| 2 | 810 | 0.81 | 0.84 | 89 | AMP, BCO |
| 3 | 86 | 0.47 | 0.81 | 14 | empty |
| 4 | 78 | 0.44 | 0.81 | 14 | empty |
| 5 | 96 | 0.43 | 0.79 | 24 | empty |
Compared structures
- 3EQ6 · Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P… · the same entry in another collection · chain A against A, TM-score 1.00
- Q08AH3 · AlphaFold monomer V2.0 prediction for acyl-coenzyme a synthetase ACSM2A, mitochondrial… · a predicted model of the same protein · chain B 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 Q08AH3
- Elsewhere: RCSB PDB 3EQ6 · PDBe 3EQ6 · UniProt Q08AH3
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