Structure of PDB 4w53 Chain A Binding Site BS01

Receptor Information
>4w53 Chain A (length=164) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI
GRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAI
NMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI
TTFRTGTWDAYKNL
Ligand information
Ligand IDMBN
InChIInChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyYXFVVABEGXRONW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		Cc1ccccc1
ACDLabs 10.04c1ccccc1C
FormulaC7 H8
NameTOLUENE
ChEMBLCHEMBL9113
DrugBankDB11558
ZINCZINC000000967534
PDB chain4w53 Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4w53 Homologous ligands accommodated by discrete conformations of a buried cavity.
Resolution1.56 Å
Binding residue
(original residue number in PDB)		V87 A99 V111 L118
Binding residue
(residue number reindexed from 1)		V87 A99 V111 L118
Annotation score1
Binding affinityMOAD: Kd=102uM
PDBbind-CN: -logKd/Ki=3.99,Kd=102uM
BindingDB: Kd=102000nM
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:4w53, PDBe:4w53, PDBj:4w53
PDBsum4w53
PubMed25847998
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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