Structure of PDB 3gum Chain A Binding Site BS01

Receptor Information
>3gum Chain A (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 IDPXY
InChIInChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
InChIKeyURLKBWYHVLBVBO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)C
CACTVS 3.341Cc1ccc(C)cc1
ACDLabs 10.04c1cc(ccc1C)C
FormulaC8 H10
NamePARA-XYLENE
ChEMBLCHEMBL31561
DrugBank
ZINCZINC000000968254
PDB chain3gum Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gum Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
Resolution2.24 Å
Binding residue
(original residue number in PDB)		A99 E102 V111 L118 F153
Binding residue
(residue number reindexed from 1)		A99 E102 V111 L118 F153
Annotation score1
Binding affinityMOAD: Ka=6610M^-1
BindingDB: Kd=151000nM
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:3gum, PDBe:3gum, PDBj:3gum
PDBsum3gum
PubMed19663503
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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