Structure of PDB 8w2g Chain B Binding Site BS02

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 A 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)		R565 R654
Binding residue
(residue number reindexed from 1)		R553 R642
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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