Structure of PDB 1li3 Chain A Binding Site BS01

Receptor Information
>1li3 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 ID3CH
InChIInChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKeyHORNXRXVQWOLPJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Clc1cc(O)ccc1
OpenEye OEToolkits 1.5.0c1cc(cc(c1)Cl)O
CACTVS 3.341Oc1cccc(Cl)c1
FormulaC6 H5 Cl O
Name3-CHLOROPHENOL
ChEMBLCHEMBL41172
DrugBankDB01957
ZINCZINC000000404329
PDB chain1li3 Chain A Residue 401 [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]
PDB1li3 A Model Binding Site for Testing Scoring Functions in Molecular Docking
Resolution1.85 Å
Binding residue
(original residue number in PDB)		A99 Q102 L118
Binding residue
(residue number reindexed from 1)		A99 Q102 L118
Annotation score1
Binding affinityMOAD: Kd=56uM
PDBbind-CN: -logKd/Ki=4.25,Kd=56uM
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:1li3, PDBe:1li3, PDBj:1li3
PDBsum1li3
PubMed12217695
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

[Back to BioLiP]