Structure of PDB 1ovk Chain A Binding Site BS01

Receptor Information
>1ovk 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
NQVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI
TTFRTGTWDAYK
Ligand information
Ligand IDNYL
InChIInChI=1S/C9H11N/c1-2-8-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2
InChIKeyLQFLWKPCQITJIH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04C(=C)\CNc1ccccc1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C=CCNc1ccccc1
FormulaC9 H11 N
NameN-ALLYL-ANILINE
ChEMBLCHEMBL1234871
DrugBankDB02870
ZINCZINC000012363587
PDB chain1ovk Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ovk Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
Resolution2.1 Å
Binding residue
(original residue number in PDB)		V87 A99 Q102 V111 L121 L133
Binding residue
(residue number reindexed from 1)		V87 A99 Q102 V111 L121 L133
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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Cellular Component
External links
PDB RCSB:1ovk, PDBe:1ovk, PDBj:1ovk
PDBsum1ovk
PubMed15046985
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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