Structure of PDB 7aus Chain A Binding Site BS01

Receptor Information
>7aus Chain A (length=167) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENQVYSPVTGARLVAGCICLTPDKKQVLMITSSAHKKRWIVPKGGVEKDE
PNYETTAQRETWEEAGCIGKIVANLGTVEDMRPPKDWNKDIKQFENSRKD
SEVAKHPPRTEFHFYELEIENLLDKFPECHKRHRKLYSYTEAKQNLIDAK
RPELLEALNRSAIIKDD
Ligand information
Ligand IDRYT
InChIInChI=1S/H17O46P15/c1-47(2,3)33-49(7,8)35-51(11,12)37-53(15,16)39-55(19,20)41-57(23,24)43-59(27,28)45-61(31,32)46-60(29,30)44-58(25,26)42-56(21,22)40-54(17,18)38-52(13,14)36-50(9,10)34-48(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,1,2,3)(H2,4,5,6)
InChIKeyNXNVLMOFLGVRFT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
CACTVS 3.385O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
FormulaH17 O46 P15
Namepentadecaphosphate;
bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
ChEMBL
DrugBank
ZINC
PDB chain7aus Chain A Residue 201 [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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PDB7aus Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		R32 S52 S53 A54 H55 K57 R58 I60 K63 G64 E84 R102 R152 R171
Binding residue
(residue number reindexed from 1)		R12 S32 S33 A34 H35 K37 R38 I40 K43 G44 E64 R82 R132 R151
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.10: endopolyphosphatase.
3.6.1.52: diphosphoinositol-polyphosphate diphosphatase.
3.6.1.60: diadenosine hexaphosphate hydrolase (AMP-forming).
Gene Ontology
Molecular Function
GO:0000298 endopolyphosphatase activity
GO:0008486 diphosphoinositol-polyphosphate diphosphatase activity
GO:0016462 pyrophosphatase activity
GO:0016787 hydrolase activity
GO:0034431 bis(5'-adenosyl)-hexaphosphatase activity
GO:0034432 bis(5'-adenosyl)-pentaphosphatase activity
GO:0046872 metal ion binding
GO:1990174 phosphodiesterase decapping endonuclease activity
Biological Process
GO:0006798 polyphosphate catabolic process
GO:0015961 diadenosine polyphosphate catabolic process
GO:0071543 diphosphoinositol polyphosphate metabolic process
GO:1901907 diadenosine pentaphosphate catabolic process
GO:1901909 diadenosine hexaphosphate catabolic process
GO:1901911 adenosine 5'-(hexahydrogen pentaphosphate) catabolic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:7aus, PDBe:7aus, PDBj:7aus
PDBsum7aus
PubMed33893105
UniProtQ99321|DDP1_YEAST Diphosphoinositol polyphosphate phosphohydrolase DDP1 (Gene Name=DDP1)

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