2025-04-26_00000014
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ligand
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8W11
Structure of human PIN1 covalently derivatized with SuFEx compound;
X-ray diffraction 2.20Å
Protein #1
167 residues (89% resolved)
Raw Sequence ...
GSHGMADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Canonical Sequence ...
GSHGMADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Non polymer #2
A1AET
InChI=1S/C17H10FNO7S/c18-27(24,25)12-6-10(5-11(7-12)16(21)22)15(20)19-13-8-9-3-1-2-4-14(9)26-17(13)23/h1-8H,(H,19,20)(H,21,22)
InChI=1S/C17H10FNO7S/c18-27(24,25)12-6-10(5-11(7-12)16(21)22)15(20)19-13-8-9-3-1-2-4-14(9)26-17(13)23/h1-8H,(H,19,20)(H,21,22)
SMILES: c1ccc2c(c1)C=C(C(=O)O2)NC(=O)c3cc(cc(c3)S(=O)(=O)F)C(=O)O
c1ccc2c(c1)C=C(C(=O)O2)NC(=O)c3cc(cc(c3)S(=O)(=O)F)C(=O)O
Non polymer #3
PE4
InChI=1S/C16H34O8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17/h17H,2-16H2,1H3
InChI=1S/C16H34O8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17/h17H,2-16H2,1H3
SMILES: CCOCCOCCOCCOCCOCCOCCOCCO
CCOCCOCCOCCOCCOCCOCCOCCO
Biounit #1
monomer
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Biounit #2
monomer
Download coordinates
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Model
Reference
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