Structure of PDB 3jqc Chain A

Receptor sequence
>3jqcA (length=249) Species: 5691 (Trypanosoma brucei) [Search protein sequence]
EAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKE
RSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTP
LVGKTVETQVAELIGTNAIAPFLLTMSFAQRQSNLSIVNLCDAMVDQPCM
AFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEEEKD
KWRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLVHA
3D structure
PDB3jqc Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
ChainA
Resolution1.8 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 D142 Y155 K159
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 A R14 I15 Y34 H35 N36 S37 D62 L63 N93 S95 T126 L159 K178 P204 G205 V206 S207 L208 R13 I14 Y33 H34 N35 S36 D61 L62 N92 S94 T116 L140 K159 P185 G186 V187 S188 L189
BS02 JU2 A S95 F97 Y174 P210 S94 F96 Y155 P191 MOAD: Ki=3.9uM
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:3jqc, PDBe:3jqc, PDBj:3jqc
PDBsum3jqc
PubMed19916554
UniProtQ581W1

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