Structure of PDB 1y63 Chain A Binding Site BS06
Receptor Information
>1y63 Chain A (length=168) Species:
347515
(Leishmania major strain Friedlin) [
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EQPKGINILITGTPGTGKTSMAEMIAAELDGFQHLEVGKLVKENHFYTET
HIIEEKDEDRLLDFMEPIMVSRGNHVVDYHSSELFPERWFHMVVVLHTST
EVLFERLTKRQYSEAKRAENMEAEIQCICEEEARDAYEDDIVLVRENDTL
EQMAATVEEIRERVEVLK
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
1y63 Chain A Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
1y63
Crystal structural analysis of a probable kinase from Leishmania major Friedlin
Resolution
1.7 Å
Binding residue
(original residue number in PDB)
G20 G22 K23 T24 S25 R117 N158 D159 T160 M164
Binding residue
(residue number reindexed from 1)
G15 G17 K18 T19 S20 R106 N147 D148 T149 M153
Annotation score
5
Enzymatic activity
Enzyme Commision number
2.7.4.3
: adenylate kinase.
Gene Ontology
Molecular Function
GO:0003723
RNA binding
GO:0004017
adenylate kinase activity
GO:0005524
ATP binding
GO:0016301
kinase activity
GO:0016887
ATP hydrolysis activity
GO:0042134
rRNA primary transcript binding
GO:0046872
metal ion binding
Biological Process
GO:0006364
rRNA processing
GO:0006979
response to oxidative stress
GO:0009267
cellular response to starvation
GO:0016310
phosphorylation
GO:0030490
maturation of SSU-rRNA
GO:0042254
ribosome biogenesis
GO:0042274
ribosomal small subunit biogenesis
GO:0046940
nucleoside monophosphate phosphorylation
Cellular Component
GO:0005634
nucleus
GO:0005730
nucleolus
GO:0005737
cytoplasm
GO:0005929
cilium
GO:0010494
cytoplasmic stress granule
GO:0031981
nuclear lumen
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1y63
,
PDBe:1y63
,
PDBj:1y63
PDBsum
1y63
PubMed
UniProt
Q4Q7A6
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