Structure of PDB 6gdp Chain A

Receptor sequence
>6gdpA (length=252) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence]
MEAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNK
ERSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPT
PLVQGKTVETQVAELIGTNAIAPFLLTMSFAQRQKSNLSIVNLCDAMVDQ
PCMAFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEE
EKDKWRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLV
HA
3D structure
PDB6gdp Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
ChainA
Resolution1.52 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 Y34 H35 N36 S37 D62 L63 N93 A94 S95 T126 L159 K178 P204 G205 V206 S207 L208 R14 I15 Y34 H35 N36 S37 D62 L63 N93 A94 S95 T118 L143 K162 P188 G189 V190 S191 L192
BS02 EVW A S95 F97 M163 C168 Y174 V206 W221 S95 F97 M147 C152 Y158 V190 W205 MOAD: ic50=18.5uM
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:6gdp, PDBe:6gdp, PDBj:6gdp
PDBsum6gdp
PubMed30908048
UniProtO76290

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