Structure of PDB 2x56 Chain A Binding Site BS03

Receptor Information
>2x56 Chain A (length=272) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LIPNISPDSFTVAASTGMLSGKSHEMLYDAETGRKISQLDWKIKNVAILK
GDISWDPYSFLTLNARGWTSLASGSGNMDDYDWMNENQSEWTDHSSHPAT
NVNHANEYDLNVKGWLLQDENYKAGITAGYQETRFSWTATGGSYSYNNGA
YTGNFPKGVRVIGYNQRFSMPYIGLAGQYRINDFELNALFKFSDWVRAHD
NDEHYMRDLTFREKTSGSRYYGTVINAGYYVTPNAKVFAEFTYSKYDESI
GGDAAGISNKNYTVTAGLQYRF
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 chain2x56 Chain A Residue 1297 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2x56 An Active Site Water Network in the Plasminogen Activator Pla from Yersinia Pestis
Resolution2.3 Å
Binding residue
(original residue number in PDB)		I57 Y112
Binding residue
(residue number reindexed from 1)		I53 Y108
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D84 D86 S99 D206 H208
Catalytic site (residue number reindexed from 1) D80 D82 S95 D202 H204
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:2x56, PDBe:2x56, PDBj:2x56
PDBsum2x56
PubMed20637417
UniProtP17811|PLA_YERPE Plasminogen activator (Gene Name=pla)

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