Structure of PDB 6gdo Chain A

Receptor sequence
>6gdoA (length=248) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence]
EAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKE
RSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTP
LVKTVETQVAELIGTNAIAPFLLTMSFAQRQSNLSIVNLCDAMVDQPCMA
FSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEEEKDK
WRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLVHA
3D structure
PDB6gdo Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
ChainA
Resolution1.78 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) R14 D161 Y174 K178
Catalytic site (residue number reindexed from 1) R13 D141 Y154 K158
Enzyme Commision number ?
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 NAP A R14 I15 Y34 H35 N36 S37 D62 L63 N93 A94 S95 T126 L159 D161 K178 P204 G205 S207 L208 R13 I14 Y33 H34 N35 S36 D61 L62 N92 A93 S94 T115 L139 D141 K158 P184 G185 S187 L188
BS02 EVZ A S95 F97 C168 Y174 M213 W221 S94 F96 C148 Y154 M193 W201 MOAD: ic50=0.93uM
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0047040 pteridine reductase activity

View graph for
Molecular Function
External links
PDB RCSB:6gdo, PDBe:6gdo, PDBj:6gdo
PDBsum6gdo
PubMed30908048
UniProtO76290

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