Structure of PDB 3tdh Chain C Binding Site BS01

Receptor Information
>3tdh Chain C (length=316) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSQEKVSIEQQLAVESIRKFLNSKTSYDVLPVSYRLIVLDTSLLVKKSLN
VLLQNSIVSAPLWDSKTSRFAGLLTTTDFINVIQYYFSNPDKFELVDKLQ
LDGLKDIERALGVDQLDTASIHPSRPLFEACLKMLESRSGRIPLIDQDEE
THREIVVSVLTQYRILKFVALNCRETHFLKIPIGDLNIITQDNMKSCQMT
TPVIDVIQMLTQGRVSSVPIIDENGYLINVYEAYDVLGLIKGGIYNDLSL
SVGEALMRRSDDFEGVYTCTKNDKLSTIMDNIRKARVHRFFVVDDVGRLV
GVLTLSDILKYILLGS
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 chain3tdh Chain C Residue 323 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tdh ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		T195 M199 K200 V220 S221 T309 S311 D312
Binding residue
(residue number reindexed from 1)		T190 M194 K195 V215 S216 T304 S306 D307
Annotation score4
Binding affinityMOAD: Kd=55uM
PDBbind-CN: -logKd/Ki=4.26,Kd=55uM
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:3tdh, PDBe:3tdh, PDBj:3tdh
PDBsum3tdh
PubMed22019086
UniProtP12904|AAKG_YEAST 5'-AMP-activated protein kinase subunit gamma (Gene Name=SNF4)

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