Structure of PDB 7loc Chain A Binding Site BS01

Receptor Information
>7loc Chain A (length=162) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI
GRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAI
NMVFQMGEGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVIT
TFRTGTWDAYKN
Ligand information
Ligand IDY87
InChIInChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKeyAITNMTXHTIIIBB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1F)Br
CACTVS 3.385Fc1ccc(Br)cc1
FormulaC6 H4 Br F
Name1-bromanyl-4-fluoranyl-benzene
ChEMBLCHEMBL1876826
DrugBank
ZINCZINC000000402617
PDB chain7loc Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7loc Energy penalties enhance flexible receptor docking in a model cavity.
Resolution1.16 Å
Binding residue
(original residue number in PDB)		L84 Y88 A99 V111 L118
Binding residue
(residue number reindexed from 1)		L84 Y88 A99 V110 L117
Annotation score1
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7loc, PDBe:7loc, PDBj:7loc
PDBsum7loc
PubMed34475217
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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