Structure of PDB 4i7p Chain B Binding Site BS01

Receptor Information
>4i7p Chain B (length=174) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTENLYFQGSMNIFEMLRIDEGLRLKIYKDCEGYYTIGIGHLLTKSPDLN
AAKSELDKAIGRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDS
LDAVRRCAAINHVFQMGVTGVAGFTNVLRMLQQKRWDEAAVNLAKSRWYN
QCPDRAKRVITTFRTGTWDAYKNL
Ligand information
Ligand IDES3
InChIInChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKeyFHZALEJIENDROK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1c(nc[nH]1)Br
CACTVS 3.352Brc1c[nH]cn1
FormulaC3 H3 Br N2
Name4-bromo-1H-imidazole
ChEMBLCHEMBL1232569
DrugBank
ZINCZINC000008294972
PDB chain4i7p Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4i7p The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y88 A99 V111 L121 F153
Binding residue
(residue number reindexed from 1)		Y98 A109 V121 L131 F163
Annotation score1
Binding affinityMOAD: Ka=3155M^-1
BindingDB: Kd=317000nM
Enzymatic activity
Catalytic site (original residue number in PDB) E11 D20
Catalytic site (residue number reindexed from 1) E21 D30
Enzyme Commision number 3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0009253 peptidoglycan catabolic process
GO:0016998 cell wall macromolecule catabolic process
GO:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
GO:0044659 viral release from host cell by cytolysis
Cellular Component
GO:0030430 host cell cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4i7p, PDBe:4i7p, PDBj:4i7p
PDBsum4i7p
PubMed23473072
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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