Structure of PDB 1lgx Chain A Binding Site BS01

Receptor Information
>1lgx Chain A (length=162) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI
GRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAI
NQVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI
TTFRTGTWDAYK
Ligand information
Ligand ID5AN
InChIInChI=1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKeyKQOIBXZRCYFZSO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(cc1F)F)N
CACTVS 3.341Nc1cc(F)cc(F)c1
ACDLabs 10.04Fc1cc(N)cc(F)c1
FormulaC6 H5 F2 N
Name3,5-DIFLUOROANILINE
ChEMBL
DrugBankDB03238
ZINCZINC000000164838
PDB chain1lgx Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lgx A Model Binding Site for Testing Scoring Functions in Molecular Docking
Resolution1.9 Å
Binding residue
(original residue number in PDB)		I78 V87 Y88 A99 L118
Binding residue
(residue number reindexed from 1)		I78 V87 Y88 A99 L118
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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Biological Process
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Cellular Component
External links
PDB RCSB:1lgx, PDBe:1lgx, PDBj:1lgx
PDBsum1lgx
PubMed12217695
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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