Structure of PDB 4eks Chain A Binding Site BS01
Receptor Information
>4eks Chain A (length=175) Species:
10665
(Tequatrovirus T4) [
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PTTENLYFQGSMNIFEMLRIDEGLRLKIYKDCEGYYTIGIGHLLTKSPDL
NAAKSELDKAIGRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYD
SLDAVRRCAAINHVFQMGVTGVAGFTNVLRMLQQKRWDEAAVNLAKSRWY
NQCPDRAKRVITTFRTGTWDAYKNL
Ligand information
Ligand ID
0R1
InChI
InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5H
InChIKey
KTZQTRPPVKQPFO-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 12.01
n2oc1ccccc1c2
CACTVS 3.370
o1ncc2ccccc12
OpenEye OEToolkits 1.7.6
c1ccc2c(c1)cno2
Formula
C7 H5 N O
Name
1,2-benzisoxazole
ChEMBL
CHEMBL314871
DrugBank
ZINC
ZINC000004521187
PDB chain
4eks Chain A Residue 202 [
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Receptor-Ligand Complex Structure
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PDB
4eks
Engineering a model protein cavity to catalyze the Kemp elimination.
Resolution
1.64 Å
Binding residue
(original residue number in PDB)
I78 L84 V87 Y88 A99 H102 V111 L118
Binding residue
(residue number reindexed from 1)
I89 L95 V98 Y99 A110 H113 V122 L129
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
E11 D20
Catalytic site (residue number reindexed from 1)
E22 D31
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:4eks
,
PDBe:4eks
,
PDBj:4eks
PDBsum
4eks
PubMed
22988064
UniProt
P00720
|ENLYS_BPT4 Endolysin (Gene Name=E)
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