2026-06-06_00000204
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ligand
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9V6G
Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor;
X-ray diffraction 2.00Å
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
A1ERC
InChI=1S/C15H16ClNO3S2/c16-8-15(18)17(12-5-6-22(19,20)10-12)9-13-7-11-3-1-2-4-14(11)21-13/h1-4,7,12H,5-6,8-10H2/t12-/m1/s1
InChI=1S/C15H16ClNO3S2/c16-8-15(18)17(12-5-6-22(19,20)10-12)9-13-7-11-3-1-2-4-14(11)21-13/h1-4,7,12H,5-6,8-10H2/t12-/m1/s1
SMILES: c1ccc2c(c1)cc(s2)CN([C@@H]3CCS(=O)(=O)C3)C(=O)CCl
c1ccc2c(c1)cc(s2)CN([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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