Structure of PDB 8g5x Chain C Binding Site BS01

Receptor Information
>8g5x Chain C (length=328) Species: 676032 (Francisella cf. tularensis subsp. novicida 3523) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNRKVALEAVRVTELAALASWSQMGRGDKIAADQAAVDAMRKALNEVDID
GTVVIGEGELDEAPMLYIGEKVGAGGCEVDIALDPLEGTTITSKGGANAL
TVLAMADKGGFLNAPDVYMQKIAVGGINAPKGIVDLDDSVTNNLKRIAEF
KGVHMSALVVCTMDRPRHEHIIKEARECGARVILINDGDVSGVIATATEN
SGIDVYIGTGGAPEGVLAAAALKCLGGQMQARLIFNDEEEIKRAHRLGIT
DLNKKYDIDDLASGDIVFAATGVTDGNMLQGVKRVNSTRRGSYAVTHSVV
MRSTTKTVRHITAEHSFDFKEGIEKFMS
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 chain8g5x Chain C Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8g5x New structures of Class II Fructose-1,6-Bisphosphatase from Francisella tularensis provide a framework for a novel catalytic mechanism for the entire class.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G88 T89 T90 Y118 M163 R165 R167 D187 G188 D189 G211
Binding residue
(residue number reindexed from 1)		G88 T89 T90 Y118 M163 R165 R167 D187 G188 D189 G211
Annotation score5
Enzymatic activity
Enzyme Commision number 3.1.3.11: fructose-bisphosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0042132 fructose 1,6-bisphosphate 1-phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0006071 glycerol metabolic process
GO:0006094 gluconeogenesis
GO:0030388 fructose 1,6-bisphosphate metabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8g5x, PDBe:8g5x, PDBj:8g5x
PDBsum8g5x
PubMed37352301
UniProtQ5NEJ8

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