Structure of PDB 4w55 Chain A Binding Site BS01

Receptor Information
>4w55 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
GRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAI
NMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI
TTFRTGTWDAYKNL
Ligand information
Ligand ID3H0
InChIInChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyODLMAHJVESYWTB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1ccccc1CCC
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCCc1ccccc1
FormulaC9 H12
Namepropylbenzene
ChEMBLCHEMBL286062
DrugBank
ZINCZINC000001747837
PDB chain4w55 Chain A Residue 200 [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]
PDB4w55 Homologous ligands accommodated by discrete conformations of a buried cavity.
Resolution1.6401 Å
Binding residue
(original residue number in PDB)		V87 Y88 A99 V111 L118
Binding residue
(residue number reindexed from 1)		V87 Y88 A99 V111 L118
Annotation score1
Binding affinityMOAD: Kd=18uM
PDBbind-CN: -logKd/Ki=4.74,Kd=18uM
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4w55, PDBe:4w55, PDBj:4w55
PDBsum4w55
PubMed25847998
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

[Back to BioLiP]