Structure of PDB 8w2g Chain B Binding Site BS07

Receptor Information
>8w2g Chain B (length=741) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAGKAIGVLTSGGDAQGMNAAVRAVTRMGIYVGAKVFLIYEGYEGLVEGG
ENIKQANWLSVSNIIQLGGTIIGSARCKAFTTREGRRAAAYNLVQHGITN
LCVIGGDGSLTGANIFRSEWGSLLEELVAEGKISETTARTYSHLNIAGLV
GSIDNDFCGTDMTIGTDSALHRIMEVIDAITTTAQSHQRTFVLEVMGRHC
GYLALVSALASGADWLFIPEAPPEDGWENFMCERLGETRSRGSRLNIIII
AEGAIDRNGKPISSSYVKDLVVQRLGFDTRVTVLGHVQRGGTPSAFDRIL
SSKMGMEAVMALLEATPDTPACVVTLSGNQSVRLPLMECVQMTKEVQKAM
DDKRFDEATQLRGGSFENNWNIYKLLAHQKPPKEKSNFSLAILNVGAPAA
GMNAAVRSAVRTGISHGHTVYVVHDGFEGLAKGQVQEVGWHDVAGWLGRG
GSMLGTKRTLPKGQLESIVENIRIYGIHALLVVGGFEAYEGVLQLVEARG
RYEELCIVMCVIPATISNNVPGTDFSLGSDTAVNAAMESCDRIKQSASGT
KRRVFIVETMGGYCGYLATVTGIAVGADAAYVFEDPFNIHDLKVNVEHMT
EKMKTDIQRGLVLRNEKCHDYYTTEFLYNLYSSEGKGVFDCRTNVLGHLQ
QGGAPTPFDRNYGTKLGVKAMLWLSEKLREVYRKGRVFANAPDSACVIGL
KKKAVAFSPVTELKKDTDFEHRMPREQWWLSLRLMLKMLAQ
Ligand information
Ligand IDFBP
InChIInChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1
InChIKeyRNBGYGVWRKECFJ-ARQDHWQXSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[C@@H]1CO[P](O)(O)=O
CACTVS 3.341O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O
FormulaC6 H14 O12 P2
Name1,6-di-O-phosphono-beta-D-fructofuranose;
BETA-FRUCTOSE-1,6-DIPHOSPHATE;
FRUCTOSE-1,6-BISPHOSPHATE;
1,6-di-O-phosphono-beta-D-fructose;
1,6-di-O-phosphono-D-fructose;
1,6-di-O-phosphono-fructose
ChEMBLCHEMBL97893
DrugBankDB04551
ZINCZINC000004096694
PDB chain8w2g Chain B Residue 805 [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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PDB8w2g Structural basis for allosteric regulation of human phosphofructokinase-1.
Resolution3.0 Å
Binding residue
(original residue number in PDB)
R470 T527 S529 M572 E628 R734
Binding residue
(residue number reindexed from 1)
R458 T515 S517 M560 E616 R722
Annotation score5
External links
PDB RCSB:8w2g, PDBe:8w2g, PDBj:8w2g
PDBsum8w2g
PubMed39183237
UniProtP17858|PFKAL_HUMAN ATP-dependent 6-phosphofructokinase, liver type (Gene Name=PFKL)

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