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MolNFT v1 · #166604 · protein

Crystal structure of BCL-xl bound to compound 7: (R)-3-(benzylthio)-2- (3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4- METHYLBENZYL)UREIDO)PROPANOIC acid

6UVE: “Crystal structure of BCL-xl bound to compound 7: (R)-3-(benzylthio)-2…”. X-ray diffraction, 1 ligand (QHV). MolNFT v1 #166604 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6UVE
Type
protein
Length
415 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q07817
Ligands
QHV

Structure

x-ray diffraction · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein133—Q07817
B—protein134—Q07817
C—protein148—Q07817

Ligands and binding sites

  • QHV · (R)-3-(benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'', 1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl) ureido)propanoic acid · ligand · 3 copies · chains A, B, C
  • EDO · 1,2-ethanediol · additive · chains A

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

Compared structures

  • 6UVE · Crystal structure of BCL-XL bound to compound 7… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q07817 · AlphaFold monomer V2.0 prediction for BCL-2-like protein 1 (Q07817) · a predicted model of the same protein · chain B against A, TM-score 0.78

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