2026-06-06_00000209
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ligand
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9V6W
Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor;
X-ray diffraction 2.10Å
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
A1ERK
InChI=1S/C17H18ClNO4S2/c18-10-16(20)19(13-8-9-25(21,22)12-13)11-15-6-7-17(24-15)23-14-4-2-1-3-5-14/h1-7,13H,8-12H2/t13-/m1/s1
InChI=1S/C17H18ClNO4S2/c18-10-16(20)19(13-8-9-25(21,22)12-13)11-15-6-7-17(24-15)23-14-4-2-1-3-5-14/h1-7,13H,8-12H2/t13-/m1/s1
SMILES: c1ccc(cc1)Oc2ccc(s2)CN([C@@H]3CCS(=O)(=O)C3)C(=O)CCl
c1ccc(cc1)Oc2ccc(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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