Structure of PDB 4i7r Chain B Binding Site BS01

Receptor Information
>4i7r Chain B (length=174) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTENLYFQGSMNIFEMLRIDEGLRLKIYKDCEGYYTIGIGHLLTKSPDLN
AAKSELDKAIGRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDS
LDAVRRCAAINHVFQMGVTGVAGFTNVLRMLQQKRWDEAAVNLAKSRWYN
QCPDRAKRVITTFRTGTWDAYKNL
Ligand information
Ligand ID1DU
InChIInChI=1S/C5H8N2O/c8-5-4-7-3-1-2-6-7/h1-3,8H,4-5H2
InChIKeyDXFBKDSQMUFYLD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OCCn1nccc1
CACTVS 3.370OCCn1cccn1
OpenEye OEToolkits 1.7.6c1cnn(c1)CCO
FormulaC5 H8 N2 O
Name2-(1H-pyrazol-1-yl)ethanol
ChEMBLCHEMBL2323546
DrugBank
ZINCZINC000001671842
PDB chain4i7r Chain B Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4i7r The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
Resolution1.52 Å
Binding residue
(original residue number in PDB)		L84 V87 A99 H102 V111 L118 L121 F153
Binding residue
(residue number reindexed from 1)		L94 V97 A109 H112 V121 L128 L131 F163
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E11 D20
Catalytic site (residue number reindexed from 1) E21 D30
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4i7r, PDBe:4i7r, PDBj:4i7r
PDBsum4i7r
PubMed23473072
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

[Back to BioLiP]