Structure of PDB 4pfk Chain A Binding Site BS04

Receptor Information
>4pfk Chain A (length=319) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKRIGVLTSGGDSPGMNAAIRSVVRKAIYHGVEVYGVYHGYAGLIAGNIK
KLEVGDVGDIIHRGGTILYTARCPEFKTEEGQKKGIEQLKKHGIQGLVVI
GGDGSYQGAKKLTEHGFPCVGVPGTIDNDIPGTDFTIGFDTALNTVIDAI
DKIRDTATSHERTYVIEVMGRHAGDIALWSGLAGGAETILIPEADYDMND
VIARLKRGHERGKKHSIIIVAEGVGSGVDFGRQIQEATGFETRVTVLGHV
QRGGSPTAFDRVLASRLGARAVELLLEGKGGRCVGIQNNQLVDHDIAEAL
ANKHTIDQRMYALSKELSI
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain4pfk Chain A Residue 326 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pfk Phosphofructokinase: structure and control.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R154 G185 R211 G212 K213 H215
Binding residue
(residue number reindexed from 1)		R154 G185 R211 G212 K213 H215
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) G11 R72 C73 D103 G104 G124 T125 D127 D129 R171
Catalytic site (residue number reindexed from 1) G11 R72 C73 D103 G104 G124 T125 D127 D129 R171
Enzyme Commision number 2.7.1.11: 6-phosphofructokinase.
Gene Ontology
Molecular Function
GO:0003872 6-phosphofructokinase activity
GO:0005524 ATP binding
GO:0008443 phosphofructokinase activity
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4pfk, PDBe:4pfk, PDBj:4pfk
PDBsum4pfk
PubMed6115424
UniProtP00512|PFKA_GEOSE ATP-dependent 6-phosphofructokinase (Gene Name=pfkA)

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