Structure of PDB 2ou0 Chain X Binding Site BS01

Receptor Information
>2ou0 Chain X (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 IDMR3
InChIInChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
InChIKeyOXHNLMTVIGZXSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04c1cccn1C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		Cn1cccc1
FormulaC5 H7 N
Name1-METHYL-1H-PYRROLE
ChEMBLCHEMBL1234459
DrugBank
ZINCZINC000001692446
PDB chain2ou0 Chain X Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ou0 Predicting absolute ligand binding free energies to a simple model site.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		L84 A99 V111 L118
Binding residue
(residue number reindexed from 1)		L84 A99 V111 L118
Annotation score1
Binding affinityMOAD: Kd=592uM
Enzymatic activity
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:2ou0, PDBe:2ou0, PDBj:2ou0
PDBsum2ou0
PubMed17599350
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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