Structure of PDB 3te5 Chain C Binding Site BS01

Receptor Information
>3te5 Chain C (length=313) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSQEKVSIEQQLAVESIRKFLNSKTSYDVLPVSYRLIVLDTSLLVKKSLN
VLLQNSIVSAPLWDSKTSRFAGLLTTTDFINVIQYYFSNPDKFELVDKLQ
LDGLKDIERALGVDTASIHPSRPLFEACLKMLESRSGRIPLIDQDEETHR
EIVVSVLTQYRILKFVALNCRETHFLKIPIGDLNIITQDNMKSCQMTTPV
IDVIQMLTQGRVSSVPIIDENGYLINVYEAYDVLGLIKGGIYNDLSLSVG
EALMRRSDDFEGVYTCTKNDKLSTIMDNIRKARVHRFFVVDDVGRLVGVL
TLSDILKYILLGS
Ligand information
Ligand IDNAI
InChIInChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBOPGDPNILDQYTO-NNYOXOHSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N
CACTVS 3.341NC(=O)C1=CN(C=CC1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
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)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N
CACTVS 3.341NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
FormulaC21 H29 N7 O14 P2
Name1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE;
NADH
ChEMBLCHEMBL1234616
DrugBankDB00157
ZINCZINC000008215403
PDB chain3te5 Chain C Residue 324 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3te5 ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R144 S145 Q168 T196 M200 K201 R220 V221 S222 V308 T310 S312 D313
Binding residue
(residue number reindexed from 1)		R135 S136 Q159 T187 M191 K192 R211 V212 S213 V299 T301 S303 D304
Annotation score4
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:3te5, PDBe:3te5, PDBj:3te5
PDBsum3te5
PubMed22019086
UniProtP12904|AAKG_YEAST 5'-AMP-activated protein kinase subunit gamma (Gene Name=SNF4)

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