Structure of PDB 4i7m Chain A Binding Site BS01

Receptor Information
>4i7m Chain A (length=175) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTTENLYFQGSMNIFEMLRIDEGLRLKIYKDCEGYYTIGIGHLLTKSPDL
NAAKSELDKAIGRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYD
SLDAVRRCAAINHVFQMGVTGVAGFTNVLRMLQQKRWDEAAVNLAKSRWY
NQCPDRAKRVITTFRTGTWDAYKNL
Ligand information
Ligand ID2LP
InChIInChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
InChIKeyQIRNGVVZBINFMX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=CCc1ccccc1O
CACTVS 3.341Oc1ccccc1CC=C
ACDLabs 10.04Oc1ccccc1C/C=C
FormulaC9 H10 O
Name2-ALLYLPHENOL
ChEMBLCHEMBL1229950
DrugBankDB02534
ZINCZINC000001576883
PDB chain4i7m Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4i7m The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
Resolution1.48 Å
Binding residue
(original residue number in PDB)		A99 H102 V103 V111 L118
Binding residue
(residue number reindexed from 1)		A110 H113 V114 V122 L129
Annotation score1
Binding affinityMOAD: Ka=13900M^-1
PDBbind-CN: -logKd/Ki=4.14,Kd=72uM
Enzymatic activity
Catalytic site (original residue number in PDB) E11 D20
Catalytic site (residue number reindexed from 1) E22 D31
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:4i7m, PDBe:4i7m, PDBj:4i7m
PDBsum4i7m
PubMed23473072
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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