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MolNFT v1 · #114800 · protein

Fragment-based drug discovery targeting inhibitor of apoptosis proteins: compound 2

5C0L · E3 ubiquitin-protein ligase xiap: “Fragment-based drug discovery targeting inhibitor of apoptosis proteins: compound 2”. X-ray diffraction, 2 ligands (4WJ, ZN). MolNFT v1 #114800 on GenesisL1: 3D structure, binding sites and pockets…

PDB
5C0L
Type
protein
Length
106 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
E3 ubiquitin-protein ligase xiap
EC
6.3.2.-
UniProt
P98170
Ligands
4WJ, ZN

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AE3 ubiquitin-protein ligase xiap (EC 6.3.2.-)protein10646% helix, 8% strandP98170

Ligands and binding sites

  • 4WJ · 4-(4-bromo-1H-pyrazol-1-yl)piperidinium · ligand · chains A
  • ZN · Zinc ion · metal · chains A

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

Compared structures

  • 5C0L · Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 2 · the same entry in another collection · chain A against A, TM-score 1.00

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