Structure of PDB 1ndw Chain A

Receptor sequence
>1ndwA (length=349) Species: 9913 (Bos taurus) [Search protein sequence]
TPAFDKPKVELHVHLDGAIKPETILYYGKRRGIALPADTPEELQNIIGMD
KPLTLPDFLAKFDYYMPAIAGCRDAIKRIAYEFVEMKAKDGVVYVEVRYS
PHLLANSKVEPIPWNQAEGDLTPDEVVSLVNQGLQEGERDFGVKVRSILC
CMRHQPSWSSEVVELCKKYREQTVVAIDLAGDETIEGSSLFPGHVQAYAE
AVKSGVHRTVHAGEVGSANVVKEAVDTLKTERLGHGYHTLEDTTLYNRLR
QENMHFEICPWSSYLTGAWKPDTEHAVIRFKNDQVNYSLNTDDPLIFKST
LDTDYQMTKKDMGFTEEEFKRLNINAAKSSFLPEDEKKELLDLLYKAYR
3D structure
PDB1ndw A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization
ChainA
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H15 H17 H214 E217 H238 D295
Catalytic site (residue number reindexed from 1) H12 H14 H211 E214 H235 D292
Enzyme Commision number 3.5.4.4: adenosine deaminase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 ZN A H15 H17 H214 D295 H12 H14 H211 D292
BS02 FR2 A H17 D19 L62 F65 L106 W117 D296 H14 D16 L59 F62 L103 W114 D293 MOAD: Ki=5.9uM
PDBbind-CN: -logKd/Ki=5.23,Ki=5900nM
Gene Ontology
Molecular Function
GO:0004000 adenosine deaminase activity
GO:0005515 protein binding
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:0007155 cell adhesion
GO:0009117 nucleotide metabolic process
GO:0009168 purine ribonucleoside monophosphate biosynthetic process
GO:0042110 T cell activation
GO:0043103 hypoxanthine salvage
GO:0046103 inosine biosynthetic process
GO:0060169 negative regulation of adenosine receptor signaling pathway
Cellular Component
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009897 external side of plasma membrane
GO:0031410 cytoplasmic vesicle
GO:0060205 cytoplasmic vesicle lumen
GO:0070161 anchoring junction

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ndw, PDBe:1ndw, PDBj:1ndw
PDBsum1ndw
PubMed14709046
UniProtP56658|ADA_BOVIN Adenosine deaminase (Gene Name=ADA)

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