Structure of PDB 2x4m Chain B Binding Site BS01

Receptor Information
>2x4m Chain B (length=286) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFTVAASTGMLSGKSHEMLYDAETGRKISQLDWKIKNVAILKGDISWDPY
SFLTLNARGWTSLASGSGNMDDYAWMNENQSEWTDHSSHPATNVNHANEY
DLNVKGWLLQDENYKAGITAGYQETRFSWTATGGSYSYNNGAYTGNFPKG
VRVIGYNQRFSMPYIGLAGQYRINDFELNALFKFSDWVRAHDNDEHYMRD
LTFREKTSGSRYYGTVINAGYYVTPNAKVFAEFTYSKYDEGKGGTQTIDK
NSGDSVSIGGDAAGISNKNYTVTAGLQYRFGGGGGG
Ligand information
Ligand IDC8E
InChIInChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
InChIKeyFEOZZFHAVXYAMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(CCCCCCCC)CCOCCOCCOCCO
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCOCCOCCOCCOCCO
FormulaC16 H34 O5
Name(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
ChEMBL
DrugBankDB04233
ZINCZINC000014881140
PDB chain2x4m Chain B Residue 1304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2x4m An Active Site Water Network in the Plasminogen Activator Pla from Yersinia Pestis
Resolution2.55 Å
Binding residue
(original residue number in PDB)		E29 M30 E217
Binding residue
(residue number reindexed from 1)		E17 M18 E205
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D84 A86 S99 D206 H208
Catalytic site (residue number reindexed from 1) D72 A74 S87 D194 H196
Enzyme Commision number 3.4.23.48: plasminogen activator Pla.
Gene Ontology
Molecular Function
GO:0004175 endopeptidase activity
GO:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0009279 cell outer membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2x4m, PDBe:2x4m, PDBj:2x4m
PDBsum2x4m
PubMed20637417
UniProtP17811|PLA_YERPE Plasminogen activator (Gene Name=pla)

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