Structure of PDB 3o8o Chain A Binding Site BS02

Receptor Information
>3o8o Chain A (length=750) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKKIAVMTSGGDSPGMNAAVRAVVRTGIHFGCDVFAVYEGYEGLLRGGKY
LKKMAWEDVRGWLSEGGTLIGTARSMEFRKREGRRQAAGNLISQGIDALV
VCGGDGSLTGADLFRHEWPSLVDELVAEGRFTKEEVAPYKNLSIVGLVGS
IDNDMSGTDSTIGAYSALERICEMVDYIDATAKSHSRAFVVEVMGRHCGW
LALMAGIATGADYIFIPERAVPHGKWQDELKEVCQRHRSKGRRNNTIIVA
EGALDDQLNPVTANDVKDALIELGLDTKVTILGHVQRGGTAVAHDRWLAT
LQGVDAVKAVLEFTPETPSPLIGILENKIIRMPLVESVKLTKSVATAIEN
KDFDKAISLRDTEFIELYENFLSTTVKDDGSELLPVSDRLNIGIVHVGAP
SAALNAATRAATLYCLSHGHKPYAIMNGFSGLIQTGEVKELSWIDVENWH
NLGGSEIGTNRSVASEDLGTIAYYFQKNKLDGLIILGGFEGFRSLKQLRD
GRTQHPIFNIPMCLIPATVSNNVPGTEYSLGVDTCLNALVNYTDDIKQSA
SATRRRVFVCEVQGGHSGYIASFTGLITGAVSVYTPEKKIDLASIREDIT
LLKENFRHDKGENRNGKLLVRNEQASSVYSTQLLADIISEASKGKFGVRT
AIPGHVQQGGVPSSKDRVTASRFAVKCIKFIEQWNKKNEEDDSAAVICVN
GSHVSFKPIANLWENETNVELRKGFEVHWAEYNKIGDILSGRLKLRAEVA
Ligand information
Ligand IDFDP
InChIInChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1
InChIKeyYXWOAJXNVLXPMU-ZXXMMSQZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(OC1(OC(C(O)C1O)COP(=O)(O)O)CO)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O
CACTVS 3.341OC[C]1(O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O)O[P](O)(O)=O
CACTVS 3.341OC[C@]1(O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O
FormulaC6 H14 O12 P2
Name2,6-di-O-phosphono-beta-D-fructofuranose;
FRUCTOSE-2,6-DIPHOSPHATE;
2,6-di-O-phosphono-beta-D-fructose;
2,6-di-O-phosphono-D-fructose;
2,6-di-O-phosphono-fructose
ChEMBL
DrugBank
ZINCZINC000004228295
PDB chain3o8o Chain A Residue 1 [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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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)		R665 V723 S724 Q767 G768 G769 E827 H859 R952
Binding residue
(residue number reindexed from 1)		R461 V519 S520 Q563 G564 G565 E623 H655 R722
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) G215 R278 D309 S354 D356 D358 R400
Catalytic site (residue number reindexed from 1) G11 R74 D105 S150 D152 D154 R196
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
View graph for
Cellular Component
External links
PDB RCSB:3o8o, PDBe:3o8o, PDBj:3o8o
PDBsum3o8o
PubMed21241708
UniProtP16861|PFKA1_YEAST ATP-dependent 6-phosphofructokinase subunit alpha (Gene Name=PFK1)

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