Structure of PDB 4i7t Chain B Binding Site BS01

Receptor Information
>4i7t 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 ID1DW
InChIInChI=1S/C7H5BrO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H
InChIKeySCRQAWQJSSKCFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1O)C=O)Br
ACDLabs 12.01O=Cc1cc(O)ccc1Br
CACTVS 3.370Oc1ccc(Br)c(C=O)c1
FormulaC7 H5 Br O2
Name2-bromo-5-hydroxybenzaldehyde
ChEMBLCHEMBL1982591
DrugBank
ZINCZINC000001857510
PDB chain4i7t Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4i7t The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		I78 Y88 A99 H102 V111 L121 F153
Binding residue
(residue number reindexed from 1)		I88 Y98 A109 H112 V121 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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4i7t, PDBe:4i7t, PDBj:4i7t
PDBsum4i7t
PubMed23473072
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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