Structure of PDB 2qrc Chain G Binding Site BS01

Receptor Information
>2qrc Chain G (length=324) Species: 4896 (Schizosaccharomyces pombe) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMDVQETQKGALKEIQAFIRSRTSYDVLPTSFRLIVFDVTLFVKTSLSLL
TLNNIVSAPLWDSEANKFAGLLTMADFVNVIKYYYQSSSFPEAIAEIDKF
RLLGLREVERKIGAIPPETIYVHPMHSLMDACLAMSKSRARRIPLIDVDG
ETGSEMIVSVLTQYRILKFISMNCKETAMLRVPLNQMTIGTWSNLATASM
ETKVYDVIKMLAEKNISAVPIVNSEGTLLNVYESVDVMHLIQDGDYSNLD
LSVGEALLKRPANFDGVHTCRATDRLDGIFDAIKHSRVHRLFVVDENLKL
EGILSLADILNYIIYDKDNFESAV
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain2qrc Chain G Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qrc Structural Insight into AMPK Regulation: ADP Comes into Play.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		R141 T191 L195 A196 I216 S217 I303 S305 D308
Binding residue
(residue number reindexed from 1)		R141 T191 L195 A196 I216 S217 I303 S305 D308
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016208 AMP binding
GO:0019887 protein kinase regulator activity
GO:0019901 protein kinase binding
GO:0030295 protein kinase activator activity
GO:0043531 ADP binding
Biological Process
GO:0006357 regulation of transcription by RNA polymerase II
GO:0007165 signal transduction
GO:0010514 induction of conjugation with cellular fusion
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0031588 nucleotide-activated protein kinase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2qrc, PDBe:2qrc, PDBj:2qrc
PDBsum2qrc
PubMed17937917
UniProtQ10343|AAKG_SCHPO 5'-AMP-activated protein kinase subunit gamma (Gene Name=cbs2)

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