Structure of PDB 4u1r Chain D Binding Site BS04

Receptor Information
>4u1r Chain D (length=732) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAIGVLTSGGDAQGMNAAVRAVVRMGIYVGAKVYFIYEGYQGMVDGGSNI
AEADWESVSSILQVGGTIIGSARCQAFRTREGRLKAACNLLQRGITNLCV
IGGDGSLTGANLFRKEWSGLLEELARNGQIDKEAVQKYAYLNVVGMVGSI
DNDFCGTDMTIGTDSALHRIIEVVDAIMTTAQSHQRTFVLEVMGRHCGYL
ALVSALACGADWVFLPESPPEEGWEEQMCVKLSENRARKKRLNIIIVAEG
AIDTQNKPITSEKIKELVVTQLGYDTRVTILGHVQRGGTPSAFDRILASR
MGVEAVIALLEATPDTPACVVSLNGNHAVRLPLMECVQMTQDVQKAMDER
RFQDAVRLRGRSFAGNLNTYKRLAIKLPDDQIPKTNCNVAVINVGAPAAG
MNAAVRSAVRVGIADGHRMLAIYDGFDGFAKGQIKEIGWTDVGGWTGQGG
SILGTKRVLPGKYLEEIATQMRTHSINALLIIGGFEAYLGLLELSAAREK
HEEFCVPMVMVPATVSNNVPGSDFSIGADTALNTITDTCDRIKQSASGTK
RRVFIIETMGGYCGYLANMGGLAAGADAAYIFEEPFDIRDLQSNVEHLTE
KMKTTIQRGLVLRNESCSENYTTDFIYQLYSEEGKGVFDCRKNVLGHMQQ
GGAPSPFDRNFGTKISARAMEWITAKLKEARTTDDSICVLGISKRNVIFQ
PVAELKKQTDFEHRIPKEQWWLKLRPLMKILA
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 chain4u1r Chain D 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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PDB4u1r Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R44 R48 S83 S84 R632
Binding residue
(residue number reindexed from 1)		R20 R24 S59 S60 R608
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) G10 R73 C74 D104 G148 S149 D151 D153 R195
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

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4u1r, PDBe:4u1r, PDBj:4u1r
PDBsum4u1r
PubMed26205495
UniProtQ01813|PFKAP_HUMAN ATP-dependent 6-phosphofructokinase, platelet type (Gene Name=PFKP)

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