Structure of PDB 1a5u Chain G Binding Site BS03
Receptor Information
>1a5u Chain G (length=519) Species:
9986
(Oryctolagus cuniculus) [
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IQTQQLHAAMADTFLEHMCRLDIDSAPITARNTGIICTIGPASRSVETLK
EMIKSGMNVARMNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVAL
DTKGPEIRTGLIKGSGTAEVELKKGATLKITLDNAYMEKCDENILWLDYK
NICKVVDVGSKVYVDDGLISLQVKQKGPDFLVTEVENGGFLGSKKGVNLP
GAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKAADVHEVRKILGEKG
KNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKM
IIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLS
GETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELARSSSHSTDLMEAM
AMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNHQTARQ
AHLYRGIFPVVCKDPVQEAWAEDVDLRVNLAMNVGKARGFFKKGDVVIVL
TGWRPGSGFTNTMRVVPVP
Ligand information
Ligand ID
ATP
InChI
InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
Formula
C10 H16 N5 O13 P3
Name
ADENOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL14249
DrugBank
DB00171
ZINC
ZINC000004261765
PDB chain
1a5u Chain G Residue 4735 [
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Receptor-Ligand Complex Structure
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PDB
1a5u
Structure of the bis(Mg2+)-ATP-oxalate complex of the rabbit muscle pyruvate kinase at 2.1 A resolution: ATP binding over a barrel.
Resolution
2.35 Å
Binding residue
(original residue number in PDB)
P4252 R4272 N4274 H4277 Y4282 R4319 K4406 S4561 G4562 A4565
Binding residue
(residue number reindexed from 1)
P41 R61 N63 H66 Y71 R108 K195 S350 G351 A354
Annotation score
5
Enzymatic activity
Enzyme Commision number
2.7.10.2
: non-specific protein-tyrosine kinase.
2.7.11.1
: non-specific serine/threonine protein kinase.
2.7.1.40
: pyruvate kinase.
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0003729
mRNA binding
GO:0003824
catalytic activity
GO:0004713
protein tyrosine kinase activity
GO:0004743
pyruvate kinase activity
GO:0005515
protein binding
GO:0005524
ATP binding
GO:0016301
kinase activity
GO:0030955
potassium ion binding
GO:0046872
metal ion binding
Biological Process
GO:0006096
glycolytic process
GO:0006417
regulation of translation
GO:0016310
phosphorylation
GO:0032869
cellular response to insulin stimulus
GO:1903672
positive regulation of sprouting angiogenesis
GO:2000767
positive regulation of cytoplasmic translation
Cellular Component
GO:0005634
nucleus
GO:0005737
cytoplasm
GO:0005791
rough endoplasmic reticulum
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1a5u
,
PDBe:1a5u
,
PDBj:1a5u
PDBsum
1a5u
PubMed
9572839
UniProt
P11974
|KPYM_RABIT Pyruvate kinase PKM (Gene Name=PKM)
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