Structure of PDB 6d24 Chain C Binding Site BS01

Receptor Information
>6d24 Chain C (length=494) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VCERIPDAVSPELRSRALTIVVLGASGDLAKKKTFPALFQLYCNGMLPRD
VNILGYARSTMEDVEKWKKDTLAGFFTRLDERGCHVGNFLRRISYMTGSY
DRDEDFARLNERILRMEEAFQGPEKGGNRLFYLALPPSVFVGVCRGLSKG
AMQKPELGWVRLIVEKPFGRDTETSEQLSNQLKPLFNERQVFRIDHYLGK
EMVQNIIVTRFANRVFSALWNSNSIACVQITFKEKIGTEGRGGYFDSIGI
IRDVIQNHLTQILSLLTMEKPRSLSAEDIRDEKVQVLRQVVPANPAECVL
GQYTASADGSTPGYLDDPSVPKGSHCPTFAVLRLHVNNDRWHGVPFIIRA
GKALEERLLDIRIQFKDEIRPFGESTQRNELVIRAQPSEAMYLKLTAKTP
GLLNDTHQTELDLTYERRYDVTLPDAYESLIHEALLGNSTNFVRVDELDA
AWRIYTPLLHAIDRGEVKVLPYAAGSCGPEEAQEFIRISGYKTT
Ligand information
Ligand IDBG6
InChIInChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChIKeyNBSCHQHZLSJFNQ-VFUOTHLCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
FormulaC6 H13 O9 P
Name6-O-phosphono-beta-D-glucopyranose;
BETA-D-GLUCOSE-6-PHOSPHATE;
6-O-phosphono-beta-D-glucose;
6-O-phosphono-D-glucose;
6-O-phosphono-glucose
ChEMBLCHEMBL257975
DrugBankDB04122
ZINCZINC000003875374
PDB chain6d24 Chain C Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6d24 Glucose-6-Phosphate Dehydrogenase from the Human Pathogen Trypanosoma cruzi Evolved Unique Structural Features to Support Efficient Product Formation.
Resolution3.35 Å
Binding residue
(original residue number in PDB)		K217 H247 Y248 K251 F283 E285 D304 H309 Q437
Binding residue
(residue number reindexed from 1)		K166 H196 Y197 K200 F232 E234 D253 H258 Q386
Annotation score5
Enzymatic activity
Enzyme Commision number 1.1.1.49: glucose-6-phosphate dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0004345 glucose-6-phosphate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0050661 NADP binding
Biological Process
GO:0006006 glucose metabolic process
GO:0006098 pentose-phosphate shunt
GO:0009051 pentose-phosphate shunt, oxidative branch

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6d24, PDBe:6d24, PDBj:6d24
PDBsum6d24
PubMed30930048
UniProtQ1WBU6

[Back to BioLiP]