2025-03-01_00000014
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ligand
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7H6F
THE 1.25 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 3-[2-(dimethylamino)-2-oxoethyl]-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid (INDOLE 2-CARBOXYLIC ACID);
X-ray diffraction 1.25Å
Protein #1
226 residues (100% resolved)
Raw Sequence ...
IIGGTESKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQKNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
Canonical Sequence ...
IIGGTESKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQKNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
Non polymer #2
A1AOQ
InChI=1S/C22H19FN2O3S/c1-24(2)20(26)10-17-15-5-3-4-6-18(15)25(21(17)22(27)28)11-13-12-29-19-8-7-14(23)9-16(13)19/h3-9,12H,10-11H2,1-2H3,(H,27,28)
InChI=1S/C22H19FN2O3S/c1-24(2)20(26)10-17-15-5-3-4-6-18(15)25(21(17)22(27)28)11-13-12-29-19-8-7-14(23)9-16(13)19/h3-9,12H,10-11H2,1-2H3,(H,27,28)
SMILES: CN(C)C(=O)Cc1c2ccccc2n(c1C(=O)O)Cc3csc4c3cc(cc4)F
CN(C)C(=O)Cc1c2ccccc2n(c1C(=O)O)Cc3csc4c3cc(cc4)F
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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