Structure of PDB 2o2c Chain A Binding Site BS01

Receptor Information
>2o2c Chain A (length=564) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GADADTTLTSCASWTQLQKLYEQYGDEPIKKHFETDSERGQRYSVKVSLG
SKDENFLFLDYSKSHINDEIKCALLRLAEERGIRQFVQSVFRGERVNTTE
NRPVLHIALRNRSNRPIYVDGKDVMPAVNKVLDQMRSFSEKVRTGEWKGH
TGKAIRHVVNIGIGGSDLGPVMATEALKPFSQRDLSLHFVSNVDGTHIAE
VLKSIDIEATLFIVASKTFTTQETITNALSARRALLDYLRSRGIDEKGSV
AKHFVALSTNNQKVKEFGIDEENMFQFWDWVGGRYSMWSAIGLPIMISIG
YENFVELLTGAHVIDEHFANAPPEQNVPLLLALVGVWYINFFGAVTHAIL
PYDQYLWRLPAYLQQLDMESNGKYVTRSGKTVSTLTGPIIFGEAGTNGQH
AFYQLIHQGTNLIPCDFIGAIQSQNKIGDHHKIFMSNFFAQTEALMIGKS
PSEVRRELEAAGERSAEKINALLPHKTFIGGRPSNTLLIKSLTPRALGAI
IAMYEHKVLVQGAIWGIDSYDQWGVELGKVLAKSILPQLRPGMRVNNHDS
STNGLINMFNELSH
Ligand information
Ligand IDG6Q
InChIInChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
InChIKeyVFRROHXSMXFLSN-SLPGGIOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)C(O)C=O
OpenEye OEToolkits 1.5.0C(C(C(C(C(C=O)O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C=O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C=O
FormulaC6 H13 O9 P
NameGLUCOSE-6-PHOSPHATE
ChEMBL
DrugBankDB03581
ZINCZINC000019850142
PDB chain2o2c Chain A Residue 5001 [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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PDB2o2c Crystal structure of phosphoglucose isomerase from Trypanosoma brucei complexed with glucose-6-phosphate at 1.6 A resolution
Resolution1.58 Å
Binding residue
(original residue number in PDB)		G207 S258 K259 T260 T263 G325 R326 Q407 E411 Q564
Binding residue
(residue number reindexed from 1)		G165 S216 K217 T218 T221 G283 R284 Q365 E369 Q522
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K259 E265 G325 R326 E411 H442 K571
Catalytic site (residue number reindexed from 1) K217 E223 G283 R284 E369 H400 K529
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:0005829 cytosol
GO:0020015 glycosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2o2c, PDBe:2o2c, PDBj:2o2c
PDBsum2o2c
PubMed18561188
UniProtP13377|G6PI_TRYBB Glucose-6-phosphate isomerase, glycosomal (Gene Name=PGI)

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