Structure of PDB 3rpl Chain C Binding Site BS03

Receptor Information
>3rpl Chain C (length=347) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSVDSTLGLEIIEVVEQAAIASAKWMGKGEKNTADQVAVEAMRERMNKIH
MRGRIVIGEGERDDAPMLYIGEEVGICTREDAKSFCNPDELVEIDIAVDP
CEGTNLVAYGQNGSMAVLAISEKGGLFAAPDFYMKKLAAPPAAKGHVDID
KSATENLKILSDCLNRSIEELVVVVMDRPRHKELIQEIRNAGARVRLISD
GDVSAAISCAFSGTNIHALMGIGAAPEGVISAAAMRCLGGHFQGQLIYDP
EVVKTGLIGESREGNLERLASMGIKNPDQVYNCEELACGETVLFAACGIT
PGTLMEGVRFFHGGVRTQSLVISSQSSTARFVDTVHMKESPKVIQLH
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 chain3rpl Chain C Residue 350 [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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PDB3rpl New insights into the structural and interactional basis for a promising route towards fructose-1,6-/sedoheptulose-1,7-bisphosphatases controlling
Resolution2.4 Å
Binding residue
(original residue number in PDB)		E100 G101 T102 Y131 M174 R176 R178 D198 G199 D200 A222 E225
Binding residue
(residue number reindexed from 1)		E102 G103 T104 Y133 M176 R178 R180 D200 G201 D202 A224 E227
Annotation score5
Enzymatic activity
Enzyme Commision number 3.1.3.11: fructose-bisphosphatase.
3.1.3.37: sedoheptulose-bisphosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0042132 fructose 1,6-bisphosphate 1-phosphatase activity
GO:0046872 metal ion binding
GO:0050278 sedoheptulose-bisphosphatase activity
Biological Process
GO:0006071 glycerol metabolic process
GO:0006094 gluconeogenesis
GO:0019253 reductive pentose-phosphate cycle
GO:0030388 fructose 1,6-bisphosphate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3rpl, PDBe:3rpl, PDBj:3rpl
PDBsum3rpl
PubMed
UniProtP73922|FBSB_SYNY3 D-fructose 1,6-bisphosphatase class 2/sedoheptulose 1,7-bisphosphatase (Gene Name=slr2094)

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