Structure of PDB 6ech Chain D Binding Site BS04

Receptor Information
>6ech Chain D (length=527) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QELGTAFFQQQQLPAAMADTFLEHLCLLDIDSQPVAARSTSIIATIGPAS
RSVDRLKEMIKAGMNIARLNFSHGSHEYHAESIANIREATESFATSPLSY
RPVAIALDTKGPEIRTGVLQGGPESEVEIVKGSQVLVTVDPKFQTRGDAK
TVWVDYHNITRVVAVGGRIYIDDGLISLVVQKIGPEGLVTEVEHGGILGS
RKGVNLPNTEVDLPGLSEQDLLDLRFGVQHNVDIIFASFVRKASDVLAVR
DALGPEGQNIKIISKIENHEGVKKFDEILEVSDGIMVARGDLGIEIPAEK
VFLAQKMMIGRCNLAGKPVVCATQMLESMITKARPTRAETSDVANAVLDG
ADCIMLSGETAKGSFPVEAVMMQHAIAREAEAAVYHRQLFEELRRAAPLS
RDPTEVTAIGAVEASFKCCAAAIIVLTKTGRSAQLLSQYRPRAAVIAVTR
SAQAARQVHLSRGVFPLLYREPPEAIWADDVDRRVQFGIESGKLRGFLRV
GDLVIVVTGWRPGSGYTNIMRVLSVSH
Ligand information
Ligand IDATP
InChIInChI=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
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(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 3.341Nc1ncnc2n(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
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6ech Chain D Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6ech Distinct Hepatic PKA and CDK Signaling Pathways Control Activity-Independent Pyruvate Kinase Phosphorylation and Hepatic Glucose Production.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		P65 R85 N87 H90 R132 K219 S374
Binding residue
(residue number reindexed from 1)		P48 R68 N70 H73 R115 K202 S357
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R85 R132 K282 T340
Catalytic site (residue number reindexed from 1) R68 R115 K265 T323
Enzyme Commision number 2.7.1.40: pyruvate kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0004743 pyruvate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0030955 potassium ion binding
GO:0046872 metal ion binding
GO:0048029 monosaccharide binding
Biological Process
GO:0001666 response to hypoxia
GO:0006096 glycolytic process
GO:0007584 response to nutrient
GO:0009749 response to glucose
GO:0010038 response to metal ion
GO:0016310 phosphorylation
GO:0032869 cellular response to insulin stimulus
GO:0033198 response to ATP
GO:0042866 pyruvate biosynthetic process
GO:0051591 response to cAMP
GO:0051707 response to other organism
GO:0071872 cellular response to epinephrine stimulus
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6ech, PDBe:6ech, PDBj:6ech
PDBsum6ech
PubMed31825824
UniProtP12928|KPYR_RAT Pyruvate kinase PKLR (Gene Name=Pklr)

[Back to BioLiP]