Structure of PDB 3hh3 Chain A Binding Site BS01

Receptor Information

>3hh3 Chain A (length=164) Species: 10665 (Tequatrovirus T4)

MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI
GRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAAAI
NMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI
TTFRTGTWDAYKNL

Ligand information

• Ligand ID: B20
• InChI: InChI=1S/C4H6BN/c1-2-4-6-5-3-1/h1-6H
• InChIKey: OGZZEGWWYQKMSO-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: B1NC=CC=C1
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: B1C=CC=CN1
• Formula: C4 H6 B N
• Name: 1,2-dihydro-1,2-azaborinine;
  1,2-DIHYDRO-1,2-AZABORINE
• PDB chain: 3hh3 Chain A Residue 169

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3hh3 Boron mimetics: 1,2-dihydro-1,2-azaborines bind inside a nonpolar cavity of T4 lysozyme.
• Resolution: 1.25 Å
• Binding residue (original residue number in PDB): V87 A99 V111 L118 L121
• Binding residue (residue number reindexed from 1): V87 A99 V111 L118 L121
• Annotation score: 1

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:3hh3, PDBe:3hh3, PDBj:3hh3
• PDBsum: 3hh3
• PubMed: 19688806
• UniProt: P00720|ENLYS_BPT4 Endolysin (Gene Name=E)