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Crystal structure of human acyl-CoA binding domain 7 complexed with palmitoyl-CoA

Analyse Crystal structure of human acyl-CoA binding domain 7 complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAcyl-CoA-binding domain-containing protein 7protein8868% helix, 0% strandQ8N6N7
BAcyl-CoA-binding domain-containing protein 7protein8667% helix, 0% strandQ8N6N7

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1940.350.7417PLM
2660.290.7313PLM

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

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