Structure of PDB 1ovj Chain A Binding Site BS01

Receptor Information
>1ovj 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 IDFLM
InChIInChI=1S/C7H8FN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3
InChIKeySLDLVGFPFFLYBM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1c(N)cccc1F
OpenEye OEToolkits 1.5.0Cc1c(cccc1F)N
ACDLabs 10.04Fc1cccc(N)c1C
FormulaC7 H8 F N
Name3-FLUORO-2-METHYL-ANILINE
ChEMBL
DrugBankDB01986
ZINCZINC000000407040
PDB chain1ovj Chain A Residue 408 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ovj Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
Resolution2.0 Å
Binding residue
(original residue number in PDB)		I78 V87 A99 Q102 L118
Binding residue
(residue number reindexed from 1)		I78 V87 A99 Q102 L118
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:1ovj, PDBe:1ovj, PDBj:1ovj
PDBsum1ovj
PubMed15046985
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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