Structure of PDB 4n09 Chain C Binding Site BS02
Receptor Information
>4n09 Chain C (length=345) [
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MSSAPLRVYVQCNPLLDVSAHVSDEFLVKYGLERGTAILLSERQKGIFDD
IEKMPNVRYVPGGSGLNVARVAQWMQQAYKGKFVTYVGCIADDRYGKVLK
EAAEHEGIVMAVEHTTKAGSGACAVCITGKERTLVADLGAANHLSSEHMR
SPAVVRAMDESRIFYFSGFTLTVDVNHVLQACRKAREVDGLFMINLSAPF
IMQFFSAQLGEVLPYTDIIVANRHEAKEFANMMKWDTDCVEEIARRAVSE
VPYTGTKGRVVVFTRDIESTVLATKDGVETVPVPQLDQDKVIDMNGAGDA
FMGGFLSAYAVGKDLRRCCETGHYTAQEVIQRDGCSFPEKPSFSP
Ligand information
Ligand ID
ADP
InChI
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
4n09 Chain C Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
4n09
Structures of adenosine kinase from Trypanosoma brucei brucei.
Resolution
2.6 Å
Binding residue
(original residue number in PDB)
N222 T264 D266 I267 V283 Q288 G298 H323 A326 Q327 I330
Binding residue
(residue number reindexed from 1)
N222 T264 D266 I267 V283 Q288 G298 H323 A326 Q327 I330
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
R132 D299
Catalytic site (residue number reindexed from 1)
R132 D299
Enzyme Commision number
2.7.1.20
: adenosine kinase.
Gene Ontology
Molecular Function
GO:0004001
adenosine kinase activity
GO:0005524
ATP binding
GO:0016301
kinase activity
Biological Process
GO:0006144
purine nucleobase metabolic process
GO:0006166
purine ribonucleoside salvage
GO:0009152
purine ribonucleotide biosynthetic process
GO:0016310
phosphorylation
GO:0044209
AMP salvage
Cellular Component
GO:0005634
nucleus
GO:0005654
nucleoplasm
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0020015
glycosome
GO:0097014
ciliary plasm
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:4n09
,
PDBe:4n09
,
PDBj:4n09
PDBsum
4n09
PubMed
24419613
UniProt
Q584S0
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