Structure of PDB 1t10 Chain A Binding Site BS01

Receptor Information
>1t10 Chain A (length=556) Species: 44270 (Leishmania mexicana mexicana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLLNLPAWKRLQSLYEKYGNDSILSHFEKDHQRFQRYSIEIDLHSDDNFL
FLDYSKSHINDEIKDALVALAEERGVRAFAKAMFDGQRVNSTENRAVLHV
ALRNRSNRPIIVDGKDVMSDVNNVLAQMKDFTERVRSGEWKGQTGKSIYN
IVNIGIGGSDLGPVMVTEALKPFSKRDLHCFFVSNVDGTHMAEVLKQVNL
EETIFIIASKTFTTQETLTNAMSARNALMSYLKENGISTDGAVAKHFVAL
STNTEKVREFGIDTVNMFAFWDWVGGRYSVWSAIGLSVMLSIGYDNFVEF
LTGAHVMDNHFASTPTEQNLPMMLALVGIWYNNFFGSETQAVLPYDQYLW
RLPAYLQQLDMESNGKGVTKKSGAVAVQTGPIVFGEAGTNGQHAFYQLIH
QGTKIIPCDFIGCVQTQNRVGDHHRTLMSNFFAQTEALMVGKNAEEVRQE
LVKSGMSGDAIENMIPHKTFTGSRPSNSILVNALTPRALGAIIAMYEHKV
LVQGAIWGINSYDQWGVELGKVLAKSILPQLKSGNIVSDHDGSTNGLINM
FNTRAH
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 chain1t10 Chain A Residue 1001 [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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PDB1t10 The crystal structure of glucose-6-phosphate isomerase from Leishmania mexicana reveals novel active site features
Resolution2.35 Å
Binding residue
(original residue number in PDB)		I204 S207 S257 K258 T259 T262
Binding residue
(residue number reindexed from 1)		I156 S159 S209 K210 T211 T214
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K258 E264 G324 R325 E410 H441 K569
Catalytic site (residue number reindexed from 1) K210 E216 G276 R277 E362 H393 K521
Enzyme Commision number 5.3.1.9: glucose-6-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004347 glucose-6-phosphate isomerase activity
GO:0016853 isomerase activity
GO:0048029 monosaccharide binding
GO:0097367 carbohydrate derivative binding
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0051156 glucose 6-phosphate metabolic process
GO:1901135 carbohydrate derivative metabolic process
Cellular Component
GO:0005737 cytoplasm
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:1t10, PDBe:1t10, PDBj:1t10
PDBsum1t10
PubMed15206941
UniProtP42861|G6PI_LEIME Glucose-6-phosphate isomerase (Gene Name=PGI)

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