Structure of PDB 7lob Chain A Binding Site BS01

Receptor Information
>7lob 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]
MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI
GRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAI
NMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI
TTFRTGTWDAYK
Ligand information
Ligand IDZNV
InChIInChI=1S/C9H9FO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H2
InChIKeyMABBMHBZKPIFFV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		Fc1ccccc1OCC=C
OpenEye OEToolkits 2.0.7C=CCOc1ccccc1F
FormulaC9 H9 F O
Name1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene
ChEMBL
DrugBank
ZINCZINC000002548198
PDB chain7lob Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7lob Energy penalties enhance flexible receptor docking in a model cavity.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		L84 V87 Y88 A99 M102 V111 L118 L121
Binding residue
(residue number reindexed from 1)		L84 V87 Y88 A99 M102 V111 L118 L121
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7lob, PDBe:7lob, PDBj:7lob
PDBsum7lob
PubMed34475217
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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