Structure of PDB 5jww Chain A Binding Site BS01

Receptor Information
>5jww Chain A (length=161) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPDLNAAKSELDKAI
GRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAI
NQVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPDRAKRVI
TTFRTGTWDAY
Ligand information
Ligand ID6OQ
InChIInChI=1S/C6H10BN/c1-2-7-5-3-4-6-8-7/h3-6,8H,2H2,1H3
InChIKeyLWNVLMFFYVOFEQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4B1(C=CC=CN1)CC
ACDLabs 12.01
CACTVS 3.385		CCB1NC=CC=C1
FormulaC6 H10 B N
Name2-ethyl-1,2-dihydro-1,2-azaborinine
ChEMBL
DrugBank
ZINCZINC000584904740
PDB chain5jww Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jww Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics.
Resolution1.47 Å
Binding residue
(original residue number in PDB)		A99 Q102 V111 L118
Binding residue
(residue number reindexed from 1)		A99 Q102 V111 L118
Annotation score1
Binding affinityMOAD: Ka=20800M^-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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5jww, PDBe:5jww, PDBj:5jww
PDBsum5jww
PubMed27603116
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E)

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