Structure of PDB 1li6 Chain A Binding Site BS01

Receptor Information
>1li6 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 ID5MP
InChIInChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3
InChIKeyFEKWWZCCJDUWLY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc[nH]c1
CACTVS 3.341Cc1c[nH]cc1
ACDLabs 10.04c1cc(cn1)C
FormulaC5 H7 N
Name5-METHYLPYRROLE
ChEMBLCHEMBL426643
DrugBankDB01932
ZINCZINC000002034399
PDB chain1li6 Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1li6 A Model Binding Site for Testing Scoring Functions in Molecular Docking
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y88 A99 Q102 V111
Binding residue
(residue number reindexed from 1)		Y88 A99 Q102 V111
Annotation score1
Binding affinityMOAD: Ka=6300M^-1
PDBbind-CN: -logKd/Ki=3.80,Kd=0.16mM
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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Biological Process
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Cellular Component
External links
PDB RCSB:1li6, PDBe:1li6, PDBj:1li6
PDBsum1li6
PubMed12217695
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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