Structure of PDB 1wwr Chain B Binding Site BS01

Receptor Information
>1wwr Chain B (length=157) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLVPRGSHMGKEYFLKVALREAKRAFEKGEVPVGAIIVKEGEIISKAHNS
VEELKDPTAHAEMLAIKEACRRLNTKYLEGCELYVTLEPCIMCSYALVLS
RIEKVIFSALDKKHGGVVSVFNILDEPTLNHRVKWEYYPLEEASELLSEF
FKKLRNN
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1wwr Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wwr Crystal Structure of tRNA Adenosine Deaminase (TadA) from Aquifex aeolicus
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H52 C82 C85
Binding residue
(residue number reindexed from 1)		H60 C90 C93
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H52 E54 E80 C82 C85
Catalytic site (residue number reindexed from 1) H60 E62 E88 C90 C93
Enzyme Commision number 3.5.4.33: tRNA(adenine(34)) deaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008251 tRNA-specific adenosine deaminase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0052717 tRNA-specific adenosine-34 deaminase activity
Biological Process
GO:0002100 tRNA wobble adenosine to inosine editing
GO:0008033 tRNA processing

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Molecular Function
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Biological Process
External links
PDB RCSB:1wwr, PDBe:1wwr, PDBj:1wwr
PDBsum1wwr
PubMed15677468
UniProtO67050|TADA_AQUAE tRNA-specific adenosine deaminase (Gene Name=tadA)

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