2026-06-06_00000206
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ligand
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9V6P
Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor;
X-ray diffraction 1.99Å
Protein #1
121 residues (93% resolved)
Raw Sequence ...
GPGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEQITRTQEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Canonical Sequence ...
GPGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEQITRTQEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Non polymer #2
A1ERA
InChI=1S/C6H14O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,7-13H,1-2H2
InChI=1S/C6H14O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,7-13H,1-2H2
SMILES: C(C(O)O)C(CC(O)O)(C(O)O)O
C(C(O)O)C(CC(O)O)(C(O)O)O
Non polymer #3
A1ERF
InChI=1S/C15H16Cl2N2O3S/c16-6-15(20)19(12-3-4-23(21,22)9-12)8-10-7-18-14-5-11(17)1-2-13(10)14/h1-2,5,7,12,18H,3-4,6,8-9H2/t12-/m1/s1
InChI=1S/C15H16Cl2N2O3S/c16-6-15(20)19(12-3-4-23(21,22)9-12)8-10-7-18-14-5-11(17)1-2-13(10)14/h1-2,5,7,12,18H,3-4,6,8-9H2/t12-/m1/s1
SMILES: c1cc2c(cc1Cl)[nH]cc2CN([C@@H]3CCS(=O)(=O)C3)C(=O)CCl
c1cc2c(cc1Cl)[nH]cc2CN([C@@H]3CCS(=O)(=O)C3)C(=O)CCl
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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