2025-03-01_00000009
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ligand
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7H6A
THE 1.68 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 3-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid (2-carboxy indole);
X-ray diffraction 1.68Å
Protein #1
226 residues (100% resolved)
Raw Sequence ...
IIGGTESKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQKNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
Canonical Sequence ...
IIGGTESKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQKNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
Non polymer #2
A1AO8
InChI=1S/C24H21FN2O3/c1-26(2)22(28)13-20-19-12-17(25)10-11-21(19)27(23(20)24(29)30)14-16-8-5-7-15-6-3-4-9-18(15)16/h3-12H,13-14H2,1-2H3,(H,29,30)
InChI=1S/C24H21FN2O3/c1-26(2)22(28)13-20-19-12-17(25)10-11-21(19)27(23(20)24(29)30)14-16-8-5-7-15-6-3-4-9-18(15)16/h3-12H,13-14H2,1-2H3,(H,29,30)
SMILES: CN(C)C(=O)Cc1c2cc(ccc2n(c1C(=O)O)Cc3cccc4c3cccc4)F
CN(C)C(=O)Cc1c2cc(ccc2n(c1C(=O)O)Cc3cccc4c3cccc4)F
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #4
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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