Structure of PDB 3jqg Chain C

Receptor sequence
>3jqgC (length=248) Species: 5691 (Trypanosoma brucei) [Search protein sequence]
EAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKE
RSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTP
LVGKTVETQVAELIGTNAIAPFLLTMSFAQRQNLSIVNLCDAMVDQPCMA
FSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEEEKDK
WRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLVHA
3D structure
PDB3jqg Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
ChainC
Resolution1.9 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 1.5.1.33: pteridine reductase.
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 C R14 I15 H33 Y34 H35 N36 S37 D62 L63 N93 S95 T126 L159 C160 D161 K178 P204 G205 V206 S207 R13 I14 H32 Y33 H34 N35 S36 D61 L62 N92 S94 T116 L139 C140 D141 K158 P184 G185 V186 S187
BS02 AX6 C R14 S95 F97 Y174 L209 P210 M213 W221 R13 S94 F96 Y154 L189 P190 M193 W201 MOAD: Ki=18uM
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:3jqg, PDBe:3jqg, PDBj:3jqg
PDBsum3jqg
PubMed19916554
UniProtQ581W1

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