2025-03-01_00000016
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ligand
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7H6H
THE 1.94 A CRYSTAL STRUCTURE OF HUMAN CATHEPSIN G IN COMPLEX WITH 1-[(7-fluoronaphthalen-1-yl)methyl]-3-[[methoxycarbonyl(methyl)amino]methyl]indole-2-carboxylic acid;
X-ray diffraction 1.94Å
Protein #1
235 residues (95% resolved)
Raw Sequence ...
IIGGRESRPHSRPYMAYLQIQSPAGQSRCGGFLVREDFVLTAAHCWGSNINVTLGAHNIQRRENTQQHITARRAIRHPQYNQRTIQNDIMLLQLSRRVRRNRNVNPVALPRAQEGLRPGTLCTVAGWGRVSMRRGTDTLREVQLRVQRDRQCLRIFGSYDPRRQICVGDRRERKAAFKGDSGGPLLCNNVAHGIVSYGKSSGVPPEVFTRVSSFLPWIRTTMRSFKLLDQMETPL
Canonical Sequence ...
IIGGRESRPHSRPYMAYLQIQSPAGQSRCGGFLVREDFVLTAAHCWGSNINVTLGAHNIQRRENTQQHITARRAIRHPQYNQRTIQNDIMLLQLSRRVRRNRNVNPVALPRAQEGLRPGTLCTVAGWGRVSMRRGTDTLREVQLRVQRDRQCLRIFGSYDPRRQICVGDRRERKAAFKGDSGGPLLCNNVAHGIVSYGKSSGVPPEVFTRVSSFLPWIRTTMRSFKLLDQMETPL
Non polymer #2
A1AO6
InChI=1S/C24H21FN2O4/c1-26(24(30)31-2)14-20-18-8-3-4-9-21(18)27(22(20)23(28)29)13-16-7-5-6-15-10-11-17(25)12-19(15)16/h3-12H,13-14H2,1-2H3,(H,28,29)
InChI=1S/C24H21FN2O4/c1-26(24(30)31-2)14-20-18-8-3-4-9-21(18)27(22(20)23(28)29)13-16-7-5-6-15-10-11-17(25)12-19(15)16/h3-12H,13-14H2,1-2H3,(H,28,29)
SMILES: CN(Cc1c2ccccc2n(c1C(=O)O)Cc3cccc4c3cc(cc4)F)C(=O)OC
CN(Cc1c2ccccc2n(c1C(=O)O)Cc3cccc4c3cc(cc4)F)C(=O)OC
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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