Structure of PDB 8iyv Chain A Binding Site BS01

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8iyv Chain A Residue 302 [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)		E70 N72 V75 E80
Binding residue
(residue number reindexed from 1)		E52 N54 V57 E62
Annotation score4
External links
PDB RCSB:8iyv, PDBe:8iyv, PDBj:8iyv
PDBsum8iyv
PubMed39216203
UniProtP00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)

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