Structure of PDB 3pep Chain A Binding Site BS01

Receptor Information
>3pep Chain A (length=326) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLAC
SDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQI
FGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDL
FSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMD
GETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCS
SIDSLPDIVFTIDGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWI
LGDVFIRQYYTVFDRANNKVGLAPVA
Ligand information
Ligand IDEOH
InChIInChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKeyLFQSCWFLJHTTHZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CCO
ACDLabs 11.02OCC
FormulaC2 H6 O
NameETHANOL
ChEMBLCHEMBL545
DrugBankDB00898
ZINC
PDB chain3pep Chain A Residue 901 [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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PDB3pep Revised 2.3 A structure of porcine pepsin: evidence for a flexible subdomain
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Y14 T216
Binding residue
(residue number reindexed from 1)		Y14 T216
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D32 S35 N37 W39 Y75 D215 T218
Catalytic site (residue number reindexed from 1) D32 S35 N37 W39 Y75 D215 T218
Enzyme Commision number 3.4.23.1: pepsin A.
Gene Ontology
Molecular Function
GO:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:3pep, PDBe:3pep, PDBj:3pep
PDBsum3pep
PubMed2217165
UniProtP00791|PEPA_PIG Pepsin A (Gene Name=PGA)

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