2025-03-01_00000015
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ligand
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7H6G
THE 1.21 A CRYSTAL STRUCTURE OF HUMAN CATHEPSIN G IN COMPLEX WITH N-[2-[6-fluoro-2-[(4-hydroxy-5-methyl-2-oxo-5-phenylfuran-3-yl)-phenylmethyl]-1H-indol-3-yl]ethyl]acetamide;
X-ray diffraction 1.21Å
Protein #1
235 residues (97% resolved)
Raw Sequence ...
IIGGRESRPHSRPYMAYLQIQSPAGQSRCGGFLVREDFVLTAAHCWGSNINVTLGAHNIQRRENTQQHITARRAIRHPQYNQRTIQNDIMLLQLSRRVRRNRNVNPVALPRAQEGLRPGTLCTVAGWGRVSMRRGTDTLREVQLRVQRDRQCLRIFGSYDPRRQICVGDRRERKAAFKGDSGGPLLCNNVAHGIVSYGKSSGVPPEVFTRVSSFLPWIRTTMRSFKLLDQMETPL
Canonical Sequence ...
IIGGRESRPHSRPYMAYLQIQSPAGQSRCGGFLVREDFVLTAAHCWGSNINVTLGAHNIQRRENTQQHITARRAIRHPQYNQRTIQNDIMLLQLSRRVRRNRNVNPVALPRAQEGLRPGTLCTVAGWGRVSMRRGTDTLREVQLRVQRDRQCLRIFGSYDPRRQICVGDRRERKAAFKGDSGGPLLCNNVAHGIVSYGKSSGVPPEVFTRVSSFLPWIRTTMRSFKLLDQMETPL
Non polymer #2
A1AOS
InChI=1S/C30H27FN2O4/c1-18(34)32-16-15-23-22-14-13-21(31)17-24(22)33-27(23)25(19-9-5-3-6-10-19)26-28(35)30(2,37-29(26)36)20-11-7-4-8-12-20/h3-14,17,25,33,35H,15-16H2,1-2H3,(H,32,34)/t25-,30-/m1/s1
InChI=1S/C30H27FN2O4/c1-18(34)32-16-15-23-22-14-13-21(31)17-24(22)33-27(23)25(19-9-5-3-6-10-19)26-28(35)30(2,37-29(26)36)20-11-7-4-8-12-20/h3-14,17,25,33,35H,15-16H2,1-2H3,(H,32,34)/t25-,30-/m1/s1
SMILES: CC(=O)NCCc1c2ccc(cc2[nH]c1[C@H](c3ccccc3)C4=C([C@@](OC4=O)(C)c5ccccc5)O)F
CC(=O)NCCc1c2ccc(cc2[nH]c1[C@H](c3ccccc3)C4=C([C@@](OC4=O)(C)c5ccccc5)O)F
Non polymer #3
BTB
InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
SMILES: C(CO)N(CCO)C(CO)(CO)CO
C(CO)N(CCO)C(CO)(CO)CO
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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