2026-06-06_00000205
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ligand
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9V6I
Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor;
X-ray diffraction 2.46Å
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
A1ERB
InChI=1S/C19H20ClNO3S/c20-12-19(22)21(18-9-10-25(23,24)14-18)13-15-5-4-8-17(11-15)16-6-2-1-3-7-16/h1-8,11,18H,9-10,12-14H2/t18-/m1/s1
InChI=1S/C19H20ClNO3S/c20-12-19(22)21(18-9-10-25(23,24)14-18)13-15-5-4-8-17(11-15)16-6-2-1-3-7-16/h1-8,11,18H,9-10,12-14H2/t18-/m1/s1
SMILES: c1ccc(cc1)c2cccc(c2)CN([C@@H]3CCS(=O)(=O)C3)C(=O)CCl
c1ccc(cc1)c2cccc(c2)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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