Structure of PDB 3q7i Chain A Binding Site BS01

Receptor Information
>3q7i Chain A (length=541) Species: 177416 (Francisella tularensis subsp. tularensis SCHU S4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAMLFCDDSKKYLKEQNINLKNEFDKDDKRVEKFSLKHQNIYFDYSKNLI
NDYILKSLLESAEKSSLKDKIKQMFNGAKINSTEHRAVLHTALRDLSSTP
LIVDGQDIRQEVTKEKQRVKELVEKVVSGRWRGFSGKKITDIVNIGIGGS
DLGPKMVVRALQPYHCTDLKVHFVSNVDADSLLQALHVVDPETTLLIIAS
KSFSTEETLLNSISAREWLLDHYEDEKAVANHFVAISSKLDKVKEFGIDL
EHCYKMWDWVGGRYSLWSSIGMSIAFAIGYDNFEKLLAGAYSVDKHFKET
EFSKNIPVIMALLASYYSCTYNSQSQALLPYDERLCYFVDYLQQADMESN
GKSVNIAGETVNYQTGVVLWGGVGTNGQHAFHQLLHQGNIFIPVDFIAIA
TSHHNYDNHQQALLANCFAQSQALMFGQSYDMVYNELLKSGLNETQAKEL
AAHKVIPGNRPSTTILLDELSPYSLGALIALYEHKIFVQGVLWDINSYDQ
WGVELGKKLGKNILKAMNDDSSDEYQNLDDSTRQLIAKVKN
Ligand information
Ligand ID6PG
InChIInChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1
InChIKeyBIRSGZKFKXLSJQ-SQOUGZDYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)C(O)C(=O)O
OpenEye OEToolkits 1.5.0C(C(C(C(C(C(=O)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)=O
FormulaC6 H13 O10 P
Name6-PHOSPHOGLUCONIC ACID
ChEMBLCHEMBL1230513
DrugBankDB02076
ZINCZINC000001532623
PDB chain3q7i Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3q7i Glucose-6-phosphate isomerase from Francisella tularensis.
Resolution1.54 Å
Binding residue
(original residue number in PDB)		I145 G147 S198 K199 S200 T203 G260 R261 Q342 E346 K505
Binding residue
(residue number reindexed from 1)		I147 G149 S200 K201 S202 T205 G262 R263 Q344 E348 K507
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K199 E205 G260 R261 E346 H377 K505
Catalytic site (residue number reindexed from 1) K201 E207 G262 R263 E348 H379 K507
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

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3q7i, PDBe:3q7i, PDBj:3q7i
PDBsum3q7i
PubMed
UniProtQ5NFC4|G6PI_FRATT Glucose-6-phosphate isomerase (Gene Name=pgi)

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