Structure of PDB 3o8l Chain A Binding Site BS03

Receptor Information
>3o8l Chain A (length=748) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARTLGVGKAIAVLTSGGDAQGMNAAVRAVVRVGIFTGARVFFVHEGYQGL
VDGGDHIREATWESVSMMLQLGGTVIGSARCKDFREREGRLRAAHNLVKR
GITNLCVIGGDGSLTGADTFRSEWSDLLSDLQKAGKITAEEATRSSYLNI
VGLVGSIDNDFCGTDMTIGTDSALHRITEIVDAITTTAQSHQRTFVLEVM
GRHCGYLALVTSLSCGADWVFIPECPPDDNWEDHLCRRLSETRTRGSRLN
IIIVAEGAIDRNGKPITSEGVKDLVVRRLGYDTRVTVLGHVQRGGTPSAF
DRILGSRMGVEAVMALLEGTPDTPACVVSLSGNQAVRLPLMECVQVTKDV
TKAMDEKRFDEAMKLRGRSFMNNWEVYKLLAHIRPPAPKSGSYTVAVMNV
GAPAAGMNAAVRSTVRIGLIQGNRVLVVHDGFEGPAKGQIEEAGWSYVGG
WTGQGGSKLGSKRTLPKKSFEQISANITKFNIQGLVIIGGFEAYTGGLEL
MEGRKQFDELCIPFVVIPATVSNNVPGSDFSVGADTALNTICTTCDRIKQ
SAAGTKRRVFIIETMGGYCGYLATMAGLAAGADAAYIFEEPFTIRDLQAN
VEHLVQKMKTTVKRGLVLRNEKCNENYTTDFIFNLYSEEGKGIFDSRKNV
LGHMQQGGSPTPFDRNFATKMGAKAMNWMAGKIKESYRNGRIFANTPDSG
CVLGMRKRALVFQPVTELQNQTDFEHRIPKEQWWLKLRPILKILAKYE
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain3o8l Chain A Residue 765 [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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PDB3o8l The Crystal Structures of Eukaryotic Phosphofructokinases from Baker's Yeast and Rabbit Skeletal Muscle.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		W227 H242 R246 Y385 H390 I391
Binding residue
(residue number reindexed from 1)		W219 H234 R238 Y377 H382 I383
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) G25 R88 D119 S164 D166 D168 R210
Catalytic site (residue number reindexed from 1) G17 R80 D111 S156 D158 D160 R202
Enzyme Commision number 2.7.1.11: 6-phosphofructokinase.
Gene Ontology
Molecular Function
GO:0003872 6-phosphofructokinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016208 AMP binding
GO:0016301 kinase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0048029 monosaccharide binding
GO:0070095 fructose-6-phosphate binding
Biological Process
GO:0006002 fructose 6-phosphate metabolic process
GO:0006096 glycolytic process
GO:0016310 phosphorylation
GO:0030388 fructose 1,6-bisphosphate metabolic process
GO:0061621 canonical glycolysis
Cellular Component
GO:0005737 cytoplasm
GO:0005945 6-phosphofructokinase complex
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3o8l, PDBe:3o8l, PDBj:3o8l
PDBsum3o8l
PubMed21241708
UniProtP00511|PFKAM_RABIT ATP-dependent 6-phosphofructokinase, muscle type (Gene Name=PFKM)

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