Structure of PDB 2rb2 Chain X Binding Site BS01

Receptor Information

>2rb2 Chain X (length=162) Species: 10665 (Tequatrovirus T4)

MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI
GRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAAAI
NMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI
TTFRTGTWDAYK

Ligand information

• Ligand ID: 263
• InChI: InChI=1S/C8H9N3/c1-7-3-2-4-8(5-7)6-10-11-9/h2-5H,6H2,1H3
• InChIKey: FCVHHYNXTVRWJE-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: Cc1cccc(c1)CN=[N+]=[N-]
  CACTVS 3.341: Cc1cccc(CN=[N+]=[N-])c1
  : azide
• Formula: C8 H9 N3
• Name: 1-(azidomethyl)-3-methylbenzene
• ZINC: ZINC000015443126
• PDB chain: 2rb2 Chain X Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2rb2 Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
• Resolution: 1.463 Å
• Binding residue (original residue number in PDB): L84 A99 M102 V111 F114 L118
• Binding residue (residue number reindexed from 1): L84 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:2rb2, PDBe:2rb2, PDBj:2rb2
• PDBsum: 2rb2
• PubMed: 18280498
• UniProt: P00720|ENLYS_BPT4 Endolysin (Gene Name=E)