Structure of PDB 8iyv Chain A Binding Site BS02

Receptor Information
>8iyv Chain A (length=223) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRL
GEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRV
ASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKS
AYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQK
NKPGVYTKVCNYVSWIKQTIASN
Ligand information
Ligand IDFO9
InChIInChI=1S/C8H17N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h19H,1-4H2,(H2,9,15)(H4,10,11,14)(H2,12,16,17)
InChIKeyYFGRAZUYIUBWJO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1C(=NC(=S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N
CACTVS 3.385NC(N)=NC1=[SH]CC(=N1)CSCCC(N)=N[S](N)(=O)=O
OpenEye OEToolkits 2.0.6C1C(=NC(=S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N
FormulaC8 H17 N7 O2 S3
Namefamotidine
ChEMBL
DrugBank
ZINC
PDB chain8iyv Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8iyv Structural basis for the binding of famotidine, cimetidine, guanidine, and pimagedine with serine protease.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D191 S192 C193 Q194 W217 G218 C222
Binding residue
(residue number reindexed from 1)		D171 S172 C173 Q174 W193 G194 C197
Annotation score1
External links
PDB RCSB:8iyv, PDBe:8iyv, PDBj:8iyv
PDBsum8iyv
PubMed39216203
UniProtP00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)

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