Structure of PDB 1umg Chain A Binding Site BS04

Receptor Information
>1umg Chain A (length=359) Species: 273063 (Sulfurisphaera tokodaii str. 7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTTISVIKADIGSLAGHHIVHPDTMAAANKVLASAKEQGIILDYYITHVG
DDLQLIMTHTRGELDTKVHETAWNAFKEAAKVAKDLGLYAAGQDLLSDSF
SGNVRGLGPGVAEMEIEERASEPIAIFMADKTEPGAYNLPLYKMFADPFN
TPGLVIDPTMHGGFKFEVLDVYQGEAVMLSAPQEIYDLLALIGTPARYVI
RRVYRNEDNLLAAVVSIERLNLIYVGKDDPVMIVRLQHGLPALGEALEAF
AFPHLVPGWMRGSHYGPLMPVSQRDAKATRFDGPPRLLGLGFNVKNGRLV
GPTDLFDDPAFDETRRLANIVADYMRRHGPFMPHRLEPTEMEYTTLPLIL
EKLKDRFKK
Ligand information
Ligand ID2FP
InChIInChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5+,6+/m1/s1
InChIKeyXPYBSIWDXQFNMH-PYWDMBMJSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O[C@H](CO[P](O)(O)=O)[C@H](O)[C@@H](O)C(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O
ACDLabs 12.01O=P(OCC(O)C(O)C(O)C(=O)COP(=O)(O)O)(O)O
CACTVS 3.370O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O
FormulaC6 H14 O12 P2
Name1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)
ChEMBL
DrugBank
ZINCZINC000012502216
PDB chain1umg Chain A Residue 400 [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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PDB1umg The first crystal structure of the novel class of fructose-1,6-bisphosphatase present in thermophilic archaea.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H19 D53 Y91 Q95 S103 G104 N105 K133 D233 D234 M265 R266 D287 Y348
Binding residue
(residue number reindexed from 1)		H17 D51 Y89 Q93 S101 G102 N103 K131 D228 D229 M260 R261 D282 Y343
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.11: fructose-bisphosphatase.
4.1.2.13: fructose-bisphosphate aldolase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004332 fructose-bisphosphate aldolase activity
GO:0016787 hydrolase activity
GO:0016829 lyase activity
GO:0042132 fructose 1,6-bisphosphate 1-phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0006740 NADPH regeneration
GO:0016311 dephosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1umg, PDBe:1umg, PDBj:1umg
PDBsum1umg
PubMed15274916
UniProtF9VMT6|FBPAP_SULTO Fructose-1,6-bisphosphate aldolase/phosphatase (Gene Name=fbp)

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