Structure of PDB 6gcq Chain B

Receptor sequence
>6gcqB (length=253) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence]
MEAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNK
ERSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPT
PLVQGKTVETQVAELIGTNAIAPFLLTMSFAQRQKSSNLSIVNLCDAMVD
QPCMAFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGE
EEKDKWRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSL
VHA
3D structure
PDB6gcq Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
ChainB
Resolution1.58 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 D146 Y159 K163
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 B R14 I15 H33 Y34 H35 N36 S37 D62 L63 N93 A94 S95 T126 L159 K178 P204 G205 S207 R14 I15 H33 Y34 H35 N36 S37 D62 L63 N93 A94 S95 T118 L144 K163 P189 G190 S192
BS02 EUH B S95 F97 Y174 P210 S95 F97 Y159 P195 MOAD: ic50=0.5uM
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:6gcq, PDBe:6gcq, PDBj:6gcq
PDBsum6gcq
PubMed30908048
UniProtO76290

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