Structure of PDB 184l Chain A Binding Site BS01

Receptor Information
>184l 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
GRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAAAI
NMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI
TTFRTGTWDAYK
Ligand information
Ligand IDI4B
InChIInChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyKXUHSQYYJYAXGZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(C)Cc1ccccc1
ACDLabs 10.04c1ccccc1CC(C)C
FormulaC10 H14
NameISOBUTYLBENZENE
ChEMBLCHEMBL195882
DrugBank
ZINCZINC000001615327
PDB chain184l Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB184l Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		A99 L118
Binding residue
(residue number reindexed from 1)		A99 L118
Annotation score1
Binding affinityMOAD: Ka=51000M^-1
PDBbind-CN: -logKd/Ki=4.72,Kd=19uM
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:184l, PDBe:184l, PDBj:184l
PDBsum184l
PubMed7612599
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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