Structure of PDB 3qyq Chain A Binding Site BS03

Receptor Information
>3qyq Chain A (length=273) Species: 508771 (Toxoplasma gondii ME49) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYFQGIYKQFTSRTLLNFFEVAALTDGETNESVAAVCKIAAKDPAIVGV
SVRPAFVRFIRQELVKSAPEVAGIKVCAAVNFPEGTGTPDTVSLEAVGAL
KDGADEIECLIDWRRMNENVADGESRIRLLVSEVKKVVGPKTLKVVLSGG
ELQGGDIISRAAVAALEGGADFLQTSSGLGATHATMFTVHLISIALREYM
VRENERIRVEGVRCIGIKIEVGDVHMAETADFLMQMIFENGPRSIVRDKF
RVGGGFNLLKELRDCYESWDSVG
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain3qyq Chain F Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qyq Structural and functional divergence of the aldolase fold in Toxoplasma gondii.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E83 E150
Binding residue
(residue number reindexed from 1)		E84 E151
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E107 Q173 K224
Catalytic site (residue number reindexed from 1) E108 Q174 K218
Enzyme Commision number 4.1.2.4: deoxyribose-phosphate aldolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004139 deoxyribose-phosphate aldolase activity
GO:0016829 lyase activity
Biological Process
GO:0009264 deoxyribonucleotide catabolic process
GO:0016052 carbohydrate catabolic process
GO:0046386 deoxyribose phosphate catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3qyq, PDBe:3qyq, PDBj:3qyq
PDBsum3qyq
PubMed25284756
UniProtA0A7J6KBZ0|DPA_TOXGO Divergent deoxyribose-phosphate aldolase-like protein (Gene Name=DPA)

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