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MolNFT v1 · #166603 · protein

Crystal structure of BCL-xl bound to compound 2: (2R)-3- (benzylsulfanyl)-2-({[(4-METHYLPHENYL)METHYL] [(4 phenylphenyl) carbonyl] CARBAMOYL}AMINO) propanoic acid

6UVD: “Crystal structure of BCL-xl bound to compound 2: (2R)-3- (benzylsulfanyl)-2-({[(4-METHYLPHENYL)METHYL] [(4…”. X-ray diffraction, 2 ligands (XOU, SO4). MolNFT v1 #166603 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6UVD
Type
protein
Length
283 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q07817
Ligands
XOU, SO4

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein145—Q07817
B—protein138—Q07817

Ligands and binding sites

  • XOU · (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 11 copies · chains A, B

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

Compared structures

  • 6UVD · Crystal structure of BCL-XL bound to compound 2… · 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 0.77

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