Structure of PDB 3gul Chain B Binding Site BS01

Receptor Information
>3gul Chain B (length=162) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNIFEMLRIDEGLRLKIYKDCEGYYTIGIGHLLTKSPDLNAAKSELDKAI
GRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAI
NEVFQMGVTGVAGFTNVLRMLQQKRWDEAAVNLAKSRWYNQCPDRAKRVI
TTFRTGTWDAYK
Ligand information
Ligand IDPYJ
InChIInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyYNQLUTRBYVCPMQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1ccccc1CC
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCc1ccccc1
FormulaC8 H10
NamePHENYLETHANE
ChEMBLCHEMBL371561
DrugBank
ZINCZINC000000968270
PDB chain3gul Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gul Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
Resolution2.07 Å
Binding residue
(original residue number in PDB)		A99 E102 V103 V111 L121
Binding residue
(residue number reindexed from 1)		A99 E102 V103 V111 L121
Annotation score1
Binding affinityMOAD: Ka=22800M^-1
Enzymatic activity
Catalytic site (original residue number in PDB) E11 D20
Catalytic site (residue number reindexed from 1) E11 D20
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:3gul, PDBe:3gul, PDBj:3gul
PDBsum3gul
PubMed19663503
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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