Structure of PDB 3o8o Chain D Binding Site BS01

Receptor Information
>3o8o Chain D (length=763) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PQKAIAVMTSGGDAPGMNSNVRAIVRSAIFKGCRAFVVMEGYEGLVRGGP
EYIKEFHWEDVRGWSAEGGTNIGTARCMEFKKREGRLLGAQHLIEAGVDA
LIVCGGDGSLTGADLFRSEWPSLIEELLKTNRISNEQYERMKHLNICGTV
GSIDNDMSTTDATIGAYSALDRICKAIDYVEATANSHSRAFVVEVMGRNC
GWLALLAGIATSADYIFIPEKPATSSEWQDQMCDIVSKHRSRGKRTTIVV
VAEGAIAADLTPISPSDVHKVLVDRLGLDTRITTLGHVQRGGTAVAYDRI
LATLQGLEAVNAVLESTPDTPSPLIAVNENKIVRKPLMESVKLTKAVAEA
IQAKDFKRAMSLRDTEFIEHLNNFMAINSADHNEPKLPKDKRLKIAIVNV
GAPAGGINSAVYSMATYCMSQGHRPYAIYNGWSGLARHESVRSLNWKDML
GWQSRGGSEIGTNRVTPEEADLGMIAYYFQKYEFDGLIIVGGFEAFESLH
QLERARESYPAFRIPMVLIPATLSNNVPGTEYSLGSDTALNALMEYCDVV
KQSASSTRGRAFVVDCQGGNSGYLATYASLAVGAQVSYVPEEGISLEQLS
EDIEYLAQSFEKAEGRGRFGKLILKSTNASKALSATKLAEVITAEADGRF
DAKPAYPGHVQQGGLPSPIDRTRATRMAIKAVGFIKDNQAAIAEARAAEE
NFNADDKTISDTAAVVGVKGSHVVYNSIRQLYDYETEVSMRMPKVIHWQA
TRLIADHLVGRKR
Ligand information
Ligand IDF6P
InChIInChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
InChIKeyBGWGXPAPYGQALX-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O
CACTVS 3.341OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
FormulaC6 H13 O9 P
Name6-O-phosphono-beta-D-fructofuranose;
FRUCTOSE-6-PHOSPHATE;
6-O-phosphono-beta-D-fructose;
6-O-phosphono-D-fructose;
6-O-phosphono-fructose
ChEMBLCHEMBL604196
DrugBank
ZINCZINC000004096690
PDB chain3o8o Chain C Residue 988 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3o8o The Crystal Structures of Eukaryotic Phosphofructokinases from Baker's Yeast and Rabbit Skeletal Muscle.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		R383 R475
Binding residue
(residue number reindexed from 1)		R189 R281
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) G206 R270 C271 D301 G345 S346 D348 D350 R392
Catalytic site (residue number reindexed from 1) G12 R76 C77 D107 G151 S152 D154 D156 R198
Enzyme Commision number 2.7.1.11: 6-phosphofructokinase.
Gene Ontology
Molecular Function
GO:0003872 6-phosphofructokinase activity
GO:0005524 ATP binding
Biological Process
GO:0006002 fructose 6-phosphate metabolic process
GO:0006096 glycolytic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3o8o, PDBe:3o8o, PDBj:3o8o
PDBsum3o8o
PubMed21241708
UniProtP16862|PFKA2_YEAST ATP-dependent 6-phosphofructokinase subunit beta (Gene Name=PFK2)

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