Structure of PDB 4xz2 Chain A Binding Site BS03

Receptor Information
>4xz2 Chain A (length=708) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAIGVLTSGGDAQGMNAAVRAVVRMGIYVGAKVYFIYEGYQGMVDGGSNI
AEADWESVQAFRTREGRLKAACNLLQRGITNLCVIGGDGSLTGANLFRKE
WSGLLEELARNGQIDKEAVQKYAYLNVVGMVGSIMTIGTDSALHRIIEVV
DAIMTTAQSHQRTFVLEVMGRHCGYLALVSALACGADWVFLPESPPEEGW
EEQMCVKLSENRARKKRLNIIIVAEGAIDTQNKPITSEKIKELVVTQLGY
DTRVTILGHVQRGGTPSAFDRILASRMGVEAVIALLEATPDTPACVVSLN
GNHAVRLPLMECVQMTQDVQKAMDERRFQDAVRLRGRSFAGNLNTYKRLA
IKLPDDQIPKTNCNVAVINVGAPAAGMNAAVRSAVRVGIADGHRMLAIYD
GFDGFAKGQIKEIGWTDVGGWTGQGGSILGTKRVLPGKYLEEIATQMRTH
SINALLIIGGFEAYLGLLELSAAREKHEEFCVPMVMVPATVSNNVPGSDF
SIGADTALNTITDTCDRIKQSASGTKRRVFIIETMGGYCGYLANMGGLAA
GADAAYIFEEPFDIRDLQSNVEHLTEKMKTTIQRGLVLRNESCSENYTTD
FIYQLYSEEGKGVFDCRKNVLGHMQQGGAPSPFDRNFGTKISARAMEWIT
AKLKEAFTTDDSICVLGISKRNVIFQPVAELKKQTDFEHRIPKEQWWLKL
RPLMKILA
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 chain4xz2 Chain B Residue 803 [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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PDB4xz2 Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation.
Resolution2.67 Å
Binding residue
(original residue number in PDB)		R210 R301
Binding residue
(residue number reindexed from 1)		R162 R253
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) G34 D128 G172 S173 R219
Catalytic site (residue number reindexed from 1) G10 D88 G132 S133 R171
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:0044877 protein-containing complex binding
GO:0045296 cadherin 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
GO:1990830 cellular response to leukemia inhibitory factor
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005945 6-phosphofructokinase complex
GO:0016020 membrane
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4xz2, PDBe:4xz2, PDBj:4xz2
PDBsum4xz2
PubMed26205495
UniProtQ01813|PFKAP_HUMAN ATP-dependent 6-phosphofructokinase, platelet type (Gene Name=PFKP)

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