MolNFT v1 · #62789 · protein
Crystal structure of human acyl-CoA binding domain 7 complexed with palmitoyl-CoA
3EPY · Acyl-CoA-binding domain-containing protein 7: “Crystal structure of human acyl-CoA binding domain 7 complexed with palmitoyl-CoA”. X-ray diffraction, 2 ligands (COA, PLM), 2 pockets (best druggability 0.35). MolNFT v1 #62789 on…
- PDB
- 3EPY
- Type
- protein
- Length
- 174 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-CoA-binding domain-containing protein 7
- UniProt
- Q8N6N7
- Ligands
- COA, PLM
- Pockets
- 2 · best druggability 0.35
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-CoA-binding domain-containing protein 7 | protein | 88 | 68% helix, 0% strand | Q8N6N7 |
| B | Acyl-CoA-binding domain-containing protein 7 | protein | 86 | 67% helix, 0% strand | Q8N6N7 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- PLM · Palmitic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.35 | 0.74 | 17 | PLM |
| 2 | 66 | 0.29 | 0.73 | 13 | PLM |
Interfaces
1 interface between chains.
- A–B · 2968 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 3EPY · Crystal Structure of human acyl-CoA binding domain 7 complexed with palmitoyl-Coa · the same entry in another collection · chain A against A, TM-score 1.00
- Q8N6N7 · AlphaFold monomer V2.0 prediction for acyl-CoA-binding domain- containing protein 7… · a predicted model of the same protein · chain A against A, TM-score 0.49
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 Q8N6N7
- Elsewhere: RCSB PDB 3EPY · PDBe 3EPY · UniProt Q8N6N7
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