Structure of PDB 6gey Chain A

Receptor sequence
>6geyA (length=252) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence]
MEAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNK
ERSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPT
PLVQGKTVETQVAELIGTNAIAPFLLTMSFAQRQKSNLSIVNLCDAMVDQ
PCMAFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEE
EKDKWRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLV
HA
3D structure
PDB6gey Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
ChainA
Resolution1.56 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) R14 D145 Y158 K162
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 H33 Y34 H35 N36 S37 D62 L63 N93 A94 S95 T126 L159 D161 K178 P204 G205 S207 L208 R14 I15 H33 Y34 H35 N36 S37 D62 L63 N93 A94 S95 T118 L143 D145 K162 P188 G189 S191 L192
BS02 EWT A S95 F97 C168 Y174 P210 M213 W221 S95 F97 C152 Y158 P194 M197 W205 MOAD: ic50=5.4uM
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:6gey, PDBe:6gey, PDBj:6gey
PDBsum6gey
PubMed30908048
UniProtO76290

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