Structure of PDB 1lgw Chain A Binding Site BS01

Receptor Information

>1lgw Chain A (length=162) Species: 10665 (Tequatrovirus T4)

MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI
GRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAI
NQVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI
TTFRTGTWDAYK

Ligand information

• Ligand ID: 1AN
• InChI: InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
• InChIKey: FTZQXOJYPFINKJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: Nc1ccccc1F
  OpenEye OEToolkits 1.5.0: c1ccc(c(c1)N)F
  ACDLabs 10.04: Fc1ccccc1N
• Formula: C6 H6 F N
• Name: 2-FLUOROANILINE
• ChEMBL: CHEMBL195328
• DrugBank: DB02403
• ZINC: ZINC000000157599
• PDB chain: 1lgw Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1lgw A Model Binding Site for Testing Scoring Functions in Molecular Docking
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): A99 L118
• Binding residue (residue number reindexed from 1): A99 L118
• Annotation score: 1
• Binding affinity: MOAD: Kd=100uM
  PDBbind-CN: -logKd/Ki=4.00,Kd=100uM

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

External links

• PDB: RCSB:1lgw, PDBe:1lgw, PDBj:1lgw
• PDBsum: 1lgw
• PubMed: 12217695
• UniProt: P00720|ENLYS_BPT4 Endolysin (Gene Name=E)