Structure of PDB 3t4n Chain C Binding Site BS01

Receptor Information
>3t4n Chain C (length=311) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQEKVSIEQQLAVESIRKFLNSKTSYDVLPVSYRLIVLDTSLLVKKSLNV
LLQNSIVSAPLWDSKTSRFAGLLTTTDFINVIQYYFSNPDKFELVDKLQL
DGLKDIERALGVTASIHPSRPLFEACLKMLESRSGRIPLIDQDEETHREI
VVSVLTQYRILKFVALNCRETHFLKIPIGDLNIITQDNMKSCQMTTPVID
VIQMLTQGRVSSVPIIDENGYLINVYEAYDVLGLIKGGIYNDLSLSVGEA
LMRRSDDFEGVYTCTKNDKLSTIMDNIRKARVHRFFVVDDVGRLVGVLTL
SDILKYILLGS
Ligand information
Ligand IDADP
InChIInChI=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
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(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 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain3t4n Chain C Residue 324 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3t4n ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		T196 M200 K201 V221 S222 V308 T310 S312 D313
Binding residue
(residue number reindexed from 1)		T185 M189 K190 V210 S211 V297 T299 S301 D302
Annotation score4
Binding affinityMOAD: Kd=72uM
PDBbind-CN: -logKd/Ki=4.14,Kd=72uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004679 AMP-activated protein kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016208 AMP binding
GO:0019887 protein kinase regulator activity
GO:0019901 protein kinase binding
GO:0042802 identical protein binding
GO:0043539 protein serine/threonine kinase activator activity
Biological Process
GO:0006357 regulation of transcription by RNA polymerase II
GO:0006914 autophagy
GO:0007031 peroxisome organization
GO:0030447 filamentous growth
GO:0045722 positive regulation of gluconeogenesis
GO:1904547 regulation of cellular response to glucose starvation
GO:2000217 regulation of invasive growth in response to glucose limitation
Cellular Component
GO:0005634 nucleus
GO:0005641 nuclear envelope lumen
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0031588 nucleotide-activated protein kinase complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3t4n, PDBe:3t4n, PDBj:3t4n
PDBsum3t4n
PubMed22019086
UniProtP12904|AAKG_YEAST 5'-AMP-activated protein kinase subunit gamma (Gene Name=SNF4)

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