2025-03-01_00000007
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ligand
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7H67
THE 1.35 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 2-[(3,5-dimethyl-1-benzothiophen-2-yl)-phenylmethyl]-3-hydroxy-4-methyl-4-phenylcyclobut-2-en-1-one;
X-ray diffraction 1.35Å
Protein #1
226 residues (99% resolved)
Raw Sequence ...
IIGGTESKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQKNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
Canonical Sequence ...
IIGGTESKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQKNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
Non polymer #2
A1AO3
InChI=1S/C28H24O2S/c1-17-14-15-22-21(16-17)18(2)25(31-22)23(19-10-6-4-7-11-19)24-26(29)28(3,27(24)30)20-12-8-5-9-13-20/h4-16,23,29H,1-3H3/t23-,28+/m1/s1
InChI=1S/C28H24O2S/c1-17-14-15-22-21(16-17)18(2)25(31-22)23(19-10-6-4-7-11-19)24-26(29)28(3,27(24)30)20-12-8-5-9-13-20/h4-16,23,29H,1-3H3/t23-,28+/m1/s1
SMILES: Cc1ccc2c(c1)c(c(s2)[C@H](c3ccccc3)C4=C([C@](C4=O)(C)c5ccccc5)O)C
Cc1ccc2c(c1)c(c(s2)[C@H](c3ccccc3)C4=C([C@](C4=O)(C)c5ccccc5)O)C
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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