Structure of PDB 5lwo Chain A Binding Site BS01

Receptor Information
>5lwo Chain A (length=164) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI
GRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALI
NMVFQMGETGVAGFCNSLCMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI
TTFRTGTWDAYKNL
Ligand information
Ligand IDRXR
InChIInChI=1S/C10H19NOS2/c1-9(2)7(5-13)8(6-14)10(3,4)11(9)12/h12-14H,5-6H2,1-4H3
InChIKeyPZEXYXPQVHSRCF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC1(C(=C(C(N1[O])(C)C)CS)CS)C
CACTVS 3.370CC1(C)N([O])C(C)(C)C(=C1CS)CS
ACDLabs 12.01ON1C(C(=C(CS)C1(C)C)CS)(C)C
FormulaC10 H18 N O S2
Name[2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-yl]oxidanyl radical;
3,4-bis(thiomethyl)-2,2,5,5-tetramethyl-1H-Pyrrol-1-yloxyl radical
ChEMBL
DrugBank
ZINC
PDB chain5lwo Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lwo Internal Dynamics of the 3-Pyrroline-N-Oxide Ring in Spin-Labeled Proteins.
Resolution1.183 Å
Binding residue
(original residue number in PDB)		K83 C115 C119 Q122
Binding residue
(residue number reindexed from 1)		K83 C115 C119 Q122
Annotation score1
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5lwo, PDBe:5lwo, PDBj:5lwo
PDBsum5lwo
PubMed28221042
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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