Structure of PDB 4phn Chain A Binding Site BS04

Receptor Information
>4phn Chain A (length=173) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEVRQFRRLFAQLAGDDMEVSATELMNILNKVVTRHPDLKTDGFGIDTCR
SMVAVMDSDTTGKLGFEEFKYLWNNIKKWQAIYKQFDVDRSGTIGSSELP
GAFEAAGFHLNEHLYSMIIRRYSDEGGNMDFDNFISCLVRLDAMFRAFKS
LDKDGTGQIQVNIQEWLQLTMYS
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 chain4phn Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4phn The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		D135 D223 D225 N226
Binding residue
(residue number reindexed from 1)		D42 D130 D132 N133
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) F162 G185 I187
Catalytic site (residue number reindexed from 1) F69 G92 I94
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:4phn, PDBe:4phn, PDBj:4phn
PDBsum4phn
PubMed25086406
UniProtP04574|CPNS1_PIG Calpain small subunit 1 (Gene Name=CAPNS1)

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