Structure of PDB 2q2r Chain A Binding Site BS01

Receptor Information
>2q2r Chain A (length=370) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APAGSHMNIKELSLHELCEELKTPAWNAPLTFVGDVGGTSARMGFVREGK
NDSVHACVTRYSMKRKDITEIIEFFNEIIELMPASVMKRVKAGVINVPGP
VTGGAVGGPFNNLKGIARLSDYPKALFPPGHSAILNDLEAGGFGVLAVSD
AHVFSEYFGVMWEGTQWRTCEQEPAGSVIGRGRCLVLAPGTGLGSSLIYY
NPQHIVVPLELGSQTLPMRKDIDYIQTLHAELKLFPNYENMVSGAGLEFH
YRQVVRGSRPPCSAGEIAKLASEGDANACKAMKKYHEYLMRVGSEASMAL
LPLTIVLVGDNIVNNAFFYRNPQNLKEMHHEALNHEMERFGFQSRVSYLR
QKKLLNLNLMGCYRCGLDLS
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain2q2r 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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PDB2q2r The Crystal Structure of Trypanosoma cruzi Glucokinase Reveals Features Determining Oligomerization and Anomer Specificity of Hexose-phosphorylating Enzymes.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G93 D131 L187 G188 E207 E236
Binding residue
(residue number reindexed from 1)		G99 D137 L193 G194 E210 E239
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.2: glucokinase.
Gene Ontology
Molecular Function
GO:0004340 glucokinase activity
GO:0005524 ATP binding
GO:0005536 D-glucose binding
Biological Process
GO:0006096 glycolytic process
GO:0051156 glucose 6-phosphate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2q2r, PDBe:2q2r, PDBj:2q2r
PDBsum2q2r
PubMed17761195
UniProtQ4E4E1

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