Structure of PDB 3p24 Chain A Binding Site BS01

Receptor Information
>3p24 Chain A (length=357) Species: 817 (Bacteroides fragilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVTASIDLQSVSYTDLATQLNDVSDFGKMIILKDNGFNRQVHVSMDKRTK
IQLDNENVRLFNGRDKDSTNFILGDEFAVLRFYRNGESISYIAYKEAQMM
NEIAEFYAAPFKKTRAINEKEAFECIYDSRTRSAGKYPVSVKINVDKAKK
ILNLPECDYINDYIKTPQVTRAVPSEPKTVYVICLRENGSTVYPNEVSAQ
MQDAANSVYAVHGLKRYVNLHFVLYTTEYACPSGNADEGLDGFTASLKAN
PKAEGYDDQIYFLIRWGTWDNNILGISWLNSYNVNTASDFKASGMSTTQL
MYPGVMAHELGHILGANHADDPKDLMYSKYTGYLFHLSEKNMDIIAKNLG
WEIADGD
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3p24 Chain A Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3p24 Structure, function and latency regulation of a bacterial enterotoxin potentially derived from a mammalian adamalysin/ADAM xenolog.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D194 H348 H352 H358
Binding residue
(residue number reindexed from 1)		D162 H308 H312 H318
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.74: fragilysin.
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3p24, PDBe:3p24, PDBj:3p24
PDBsum3p24
PubMed21233422
UniProtO86049

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