Structure of PDB 3gun Chain A Binding Site BS01

Receptor Information
>3gun 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 IDANL
InChIInChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChIKeyPAYRUJLWNCNPSJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)N
ACDLabs 10.04
CACTVS 3.341		Nc1ccccc1
FormulaC6 H7 N
NameANILINE
ChEMBLCHEMBL538
DrugBankDB06728
ZINCZINC000017886255
PDB chain3gun 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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PDB3gun Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		A99 E102 V111
Binding residue
(residue number reindexed from 1)		A99 E102 V111
Annotation score1
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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Biological Process
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Cellular Component
External links
PDB RCSB:3gun, PDBe:3gun, PDBj:3gun
PDBsum3gun
PubMed19663503
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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