Structure of PDB 3ll4 Chain A Binding Site BS01

Receptor Information
>3ll4 Chain A (length=261) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLTPRCIIVRAGQTEWSKSGQYTGLTDLPLTPYGEGQMLRTGESVFRNNQ
FLNPDNITYIFTSPRLRARQTVDLVLKPLSDEQRAKIRVVVDDDLREWEY
GDYEGMLTREIIELRKSRGLDKERPWNIWRDGCENGETTQQIGLRLSRAI
ARIQNLHRKHQSEGRASDIMVFAHGHALRYFAAIWFGLGVQKKCETIEEI
QNVKSYDDDTVPYVKLESYRHLVDNPCFLLDAGGIGVLSYAHHNIDEPAL
ELAGPFVSPPE
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 chain3ll4 Chain A Residue 301 [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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PDB3ll4 Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.
Resolution2.49 Å
Binding residue
(original residue number in PDB)		R12 Y24 T25 R69 E99 H176 G177 H178 R181
Binding residue
(residue number reindexed from 1)		R10 Y22 T23 R67 E97 H174 G175 H176 R179
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A13 R69 E99
Catalytic site (residue number reindexed from 1) A11 R67 E97
Enzyme Commision number 3.1.3.37: sedoheptulose-bisphosphatase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016787 hydrolase activity
GO:0050278 sedoheptulose-bisphosphatase activity
Biological Process
GO:0046390 ribose phosphate biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3ll4, PDBe:3ll4, PDBj:3ll4
PDBsum3ll4
PubMed20427268
UniProtP36136|SHB17_YEAST Sedoheptulose 1,7-bisphosphatase (Gene Name=SHB17)

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