Structure of PDB 2raz Chain X Binding Site BS01

Receptor Information

>2raz Chain X (length=162) Species: 10665 (Tequatrovirus T4)

MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI
GRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAAAI
NMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI
TTFRTGTWDAYK

Ligand information

• Ligand ID: 259
• InChI: InChI=1S/C7H7NO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
• InChIKey: NEZGPRYOJVPJKL-UHFFFAOYSA-N
• SMILES:
  : sulfide
  CACTVS 3.341: CSc1ccc(cc1)[N+]([O-])=O
  OpenEye OEToolkits 1.5.0: CSc1ccc(cc1)[N+](=O)[O-]
• Formula: C7 H7 N O2 S
• Name: 1-(methylsulfanyl)-4-nitrobenzene
• ChEMBL: CHEMBL459036
• ZINC: ZINC000000163356
• PDB chain: 2raz Chain X Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2raz Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
• Resolution: 1.641 Å
• Binding residue (original residue number in PDB): L84 Y88 A99 M102 V111 F114 L118
• Binding residue (residue number reindexed from 1): L84 Y88 A99 M102 V111 F114 L118
• Annotation score: 1

Enzymatic activity

• 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:2raz, PDBe:2raz, PDBj:2raz
• PDBsum: 2raz
• PubMed: 18280498
• UniProt: P00720|ENLYS_BPT4 Endolysin (Gene Name=E)