Structure of PDB 7loa Chain A Binding Site BS01

Receptor Information

>7loa Chain A (length=163) Species: 10665 (Tequatrovirus T4)

MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI
GRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAI
NMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVI
TTFRTGTWDAYKN

Ligand information

• Ligand ID: Y7V
• InChI: InChI=1S/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H
• InChIKey: VSKSBSORLCDRHS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: Fc1cccc(I)c1
  OpenEye OEToolkits 2.0.7: c1cc(cc(c1)I)F
• Formula: C6 H4 F I
• Name: 1-fluoranyl-3-iodanyl-benzene
• ZINC: ZINC000000407029
• PDB chain: 7loa Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7loa Energy penalties enhance flexible receptor docking in a model cavity.
• Resolution: 1.07 Å
• Binding residue (original residue number in PDB): I78 L84 V87 Y88 A99 M102 V111 L118
• Binding residue (residue number reindexed from 1): I78 L84 V87 Y88 A99 M102 V111 L118
• 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:7loa, PDBe:7loa, PDBj:7loa
• PDBsum: 7loa
• PubMed: 34475217
• UniProt: P00720|ENLYS_BPT4 Endolysin (Gene Name=E)