Structure of PDB 1jug Chain A Binding Site BS01

Receptor Information
>1jug Chain A (length=125) Species: 9261 (Tachyglossus aculeatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KILKKQELCKNLVAQGMNGYQHITLPNWVCTAFHESSYNTRATNHNTDGS
TDYGILQINSRYWCHDGKTPGSKNACNISCSKLLDDDITDDLKCAKKIAG
EAKGLTPWVAWKSKCRGHDLSKFKC
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1jug Chain A Residue 126 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1jug Structure of the calcium-binding echidna milk lysozyme at 1.9 A resolution.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		K82 D85 D87 D90 D91
Binding residue
(residue number reindexed from 1)		K82 D85 D87 D90 D91
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E35 N46 D48 S50 D52 N59
Catalytic site (residue number reindexed from 1) E35 N46 D48 S50 D52 N59
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:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:1jug, PDBe:1jug, PDBj:1jug
PDBsum1jug
PubMed15299900
UniProtP37156|LYSC1_TACAC Lysozyme C I

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