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MolNFT v1 · #166685 · protein

Crystal structure of bak core domain BH3-groove-dimer in complex with popc and C8E4

6UXQ: “Crystal structure of bak core domain BH3-groove-dimer in complex with popc and C8E4”. X-ray diffraction, 2 ligands (LBN, SO4). MolNFT v1 #166685 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6UXQ
Type
protein
Length
325 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q16611
Ligands
LBN, SO4

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein84—Q16611
B—protein80—Q16611
C—protein80—Q16611
D—protein81—Q16611

Ligands and binding sites

  • LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine · ligand · chains A, B
  • SO4 · Sulfate ion · ion · 4 copies · chains A, B, D
  • C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 8 copies · chains A, D, B, C
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 6UXQ · Crystal structure of BAK core domain BH3-groove-dimer in complex with POPC and C8E4 · the same entry in another collection · chain D against D, TM-score 1.00
  • Q16611 · AlphaFold monomer V2.0 prediction for BCL-2 homologous ANTAGONIST/KILLER (Q16611) · a predicted model of the same protein · chain C against A, TM-score 0.71

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