Structure of PDB 7txa Chain 1 Binding Site BS01

Receptor Information
>7txa Chain 1 (length=328) Species: 263 (Francisella tularensis) [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 IDF6P
InChIInChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
InChIKeyBGWGXPAPYGQALX-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O
CACTVS 3.341OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
FormulaC6 H13 O9 P
Name6-O-phosphono-beta-D-fructofuranose;
FRUCTOSE-6-PHOSPHATE;
6-O-phosphono-beta-D-fructose;
6-O-phosphono-D-fructose;
6-O-phosphono-fructose
ChEMBLCHEMBL604196
DrugBank
ZINCZINC000004096690
PDB chain7txa Chain 1 Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7txa New structures of Class II Fructose-1,6-Bisphosphatase from Francisella tularensis provide a framework for a novel catalytic mechanism for the entire class.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		E57 D84 E87 D116 D187 E214
Binding residue
(residue number reindexed from 1)		E57 D84 E87 D116 D187 E214
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:7txa, PDBe:7txa, PDBj:7txa
PDBsum7txa
PubMed37352301
UniProtQ5NEJ8

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