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MolNFT v1 · #178625 · protein

Crystal structure of BCL-xl in complex with compound 1620116, crystal form 2

7JGV: “Crystal structure of BCL-xl in complex with compound 1620116, crystal form 2”. X-ray diffraction, 1 ligand (V9S). MolNFT v1 #178625 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7JGV
Type
protein
Length
281 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q07817
Ligands
V9S

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein140—Q07817
B—protein141—Q07817

Ligands and binding sites

  • V9S · 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid · ligand · 2 copies · chains A, B

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

Compared structures

  • 7JGV · Crystal structure of BCL-xl in complex with compound 1620116, crystal form 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 0.74

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