Structure of PDB 3hh6 Chain A Binding Site BS01

Receptor Information
>3hh6 Chain A (length=163) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI
GRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAAAI
NMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI
TTFRTGTWDAYKN
Ligand information
Ligand IDPYJ
InChIInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyYNQLUTRBYVCPMQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1ccccc1CC
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCc1ccccc1
FormulaC8 H10
NamePHENYLETHANE
ChEMBLCHEMBL371561
DrugBank
ZINCZINC000000968270
PDB chain3hh6 Chain A Residue 168 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hh6 Boron mimetics: 1,2-dihydro-1,2-azaborines bind inside a nonpolar cavity of T4 lysozyme.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		V87 A99 M102 V111 L118
Binding residue
(residue number reindexed from 1)		V87 A99 M102 V111 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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3hh6, PDBe:3hh6, PDBj:3hh6
PDBsum3hh6
PubMed19688806
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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