Structure of PDB 4xyj Chain A Binding Site BS04

Receptor Information
>4xyj Chain A (length=768) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRKFLEHLSGAGKAIGVLTSGGDAQGMNAAVRAVVRMGIYVGAKVYFIYE
GYQGMVDGGSNIAEADWESVSSILQVGGTIIGSARCQAFRTREGRLKAAC
NLLQRGITNLCVIGGDGSLTGANLFRKEWSGLLEELARNGQIDKEAVQKY
AYLNVVGMVGSIDNDFCGTDMTIGTDSALHRIIEVVDAIMTTAQSHQRTF
VLEVMGRHCGYLALVSALACGADWVFLPESPPEEGWEEQMCVKLSENRAR
KKRLNIIIVAEGAIDTQNKPITSEKIKELVVTQLGYDTRVTILGHVQRGG
TPSAFDRILASRMGVEAVIALLEATPDTPACVVSLNGNHAVRLPLMECVQ
MTQDVQKAMDERRFQDAVRLRGRSFAGNLNTYKRLAIKLPDDQIPKTNCN
VAVINVGAPAAGMNAAVRSAVRVGIADGHRMLAIYDGFDGFAKGQIKEIG
WTDVGGWTGQGGSILGTKRVLPGKYLEEIATQMRTHSINALLIIGGFEAY
LGLLELSAAREKHEEFCVPMVMVPATVSNNVPGSDFSIGADTALNTITDT
CDRIKQSASGTKRRVFIIETMGGYCGYLANMGGLAAGADAAYIFEEPFDI
RDLQSNVEHLTEKMKTTIQRGLVLRNESCSENYTTDFIYQLYSEEGKGVF
DCRKNVLGHMQQGGAPSPFDRNFGTKISARAMEWITAKLKEARGRGKKFT
TDDSICVLGISKRNVIFQPVAELKKQTDFEHRIPKEQWWLKLRPLMKILA
KYKASYDVSDSGQLEHVQ
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4xyj Chain A Residue 804 [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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PDB4xyj Structures of human phosphofructokinase-1 and atomic basis of cancer-associated mutations.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		G233 K264 R430 G468
Binding residue
(residue number reindexed from 1)		G221 K252 R418 G456
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G34 R97 C98 D128 G172 S173 D175 D177 R219
Catalytic site (residue number reindexed from 1) G22 R85 C86 D116 G160 S161 D163 D165 R207
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:4xyj, PDBe:4xyj, PDBj:4xyj
PDBsum4xyj
PubMed25985179
UniProtQ01813|PFKAP_HUMAN ATP-dependent 6-phosphofructokinase, platelet type (Gene Name=PFKP)

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