Structure of PDB 6n91 Chain A Binding Site BS02

Receptor Information
>6n91 Chain A (length=334) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MITSSLPLTDLHRHLDGNIRTQTILELGQKFGVKLPANTLQTLTPYVQIV
EAEPSLVAFLSKLDWGVAVLGDLDACRRVAYENVEDALNARIDYAELRFS
PYYMAMKHSLPVTGVVEAVVDGVRAGVRDFGIQANLIGIMSRTFGTDACQ
QELDAILSQKNHIVAVDLAGDELGQPGDRFIQHFKQVRDAGLHVTVHAGE
AAGPESMWQAIRDLGATRIGHGVKAIHDPKLMDYLAQHRIGIESCLTSNL
QTSTVDSLATHPLKRFLEHGILACINTDDPAVEGIELPYEYEVAAPQAGL
SQEQIRQAQLNGLELAFLSDSEKKALLAKAALRG
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 chain6n91 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6n91 Crystal Structure of Adenosine Deaminase from Vibrio cholerae Complexed with Pentostatin (Deoxycoformycin) (CASP target)
Resolution2.05 Å
Binding residue
(original residue number in PDB)		H12 H14 H197 D278
Binding residue
(residue number reindexed from 1)		H12 H14 H197 D278
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.4.4: adenosine deaminase.
Gene Ontology
Molecular Function
GO:0004000 adenosine deaminase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0019239 deaminase activity
GO:0046872 metal ion binding
GO:0046936 2'-deoxyadenosine deaminase activity
Biological Process
GO:0006154 adenosine catabolic process
GO:0009117 nucleotide metabolic process
GO:0009168 purine ribonucleoside monophosphate biosynthetic process
GO:0043103 hypoxanthine salvage
GO:0046103 inosine biosynthetic process
Cellular Component
GO:0005829 cytosol

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Biological Process
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Cellular Component
External links
PDB RCSB:6n91, PDBe:6n91, PDBj:6n91
PDBsum6n91
PubMed
UniProtQ9KNI7|ADD_VIBCH Adenosine deaminase (Gene Name=add)

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