Structure of PDB 2if8 Chain A Binding Site BS03

Receptor Information
>2if8 Chain A (length=255) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLLIFKPAFPQELEFYKAIQGDAPLCSWMPTYLGVLNESKQYLVLENLLY
GFSKPNILDIKLGKTLYDSKASLEKRERMKRVSETTTSGSLGFRICGMKI
QKNPSVLNQLSLEYYEEEADSDYIFINKLYGRSRTDQNVSDAIELYFNNP
HLSDARKHQLKKTFLKRLQLFYNTMLEEEVRMISSSLLFIYEGDPERWEL
LNDVDKLMRDDFIDSLSSMSLIDFAHSEITPGKGYDENVIEGVETLLDIF
MKFLE
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 chain2if8 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2if8 Crystal structure of inositol phosphate multikinase 2 and implications for substrate specificity.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		K31 P67 E118 N119 L120 D131 D325
Binding residue
(residue number reindexed from 1)		K6 P30 E46 N47 L48 D59 D223
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.127: inositol-trisphosphate 3-kinase.
2.7.1.151: inositol-polyphosphate multikinase.
Gene Ontology
Molecular Function
GO:0000823 inositol-1,4,5-trisphosphate 6-kinase activity
GO:0000824 inositol-1,4,5,6-tetrakisphosphate 3-kinase activity
GO:0000825 inositol-1,3,4,5-tetrakisphosphate 6-kinase activity
GO:0000827 inositol-1,3,4,5,6-pentakisphosphate kinase activity
GO:0005524 ATP binding
GO:0008440 inositol-1,4,5-trisphosphate 3-kinase activity
GO:0016301 kinase activity
GO:0016303 1-phosphatidylinositol-3-kinase activity
GO:0030674 protein-macromolecule adaptor activity
GO:0046872 metal ion binding
GO:0046934 1-phosphatidylinositol-4,5-bisphosphate 3-kinase activity
GO:0047326 inositol-1,3,4,6-tetrakisphosphate 5-kinase activity
Biological Process
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0000821 regulation of arginine metabolic process
GO:0006525 arginine metabolic process
GO:0016236 macroautophagy
GO:0016310 phosphorylation
GO:0032958 inositol phosphate biosynthetic process
GO:0036092 phosphatidylinositol-3-phosphate biosynthetic process
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0046854 phosphatidylinositol phosphate biosynthetic process
GO:0050821 protein stabilization
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0090575 RNA polymerase II transcription regulator complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2if8, PDBe:2if8, PDBj:2if8
PDBsum2if8
PubMed17050532
UniProtP07250|IPMK_YEAST Inositol polyphosphate multikinase (Gene Name=ARG82)

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