Structure of PDB 3o8o Chain A Binding Site BS01

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 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 A 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)		D356 M398 G399 R400 E455 H488
Binding residue
(residue number reindexed from 1)		D152 M194 G195 R196 E251 H284
Annotation score5
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
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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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