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Crystal structure of human PIN1 complexed with a covalent inhibitor

Analyse Crystal structure of human PIN1 complexed with a covalent inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7EKV
Type
protein
Length
146 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q13526
Ligands
J50

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein146—Q13526

Ligands and binding sites

  • J50 · 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one · ligand · chains A
  • PE8 · 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol · additive · chains A

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

Compared structures

  • 7EKV · Crystal Structure of human Pin1 complexed with a covalent inhibitor · the same entry in another collection · chain A against A, TM-score 1.00

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