Structure of PDB 3jqa Chain D

Receptor sequence
>3jqaD (length=249) Species: 5691 (Trypanosoma brucei) [Search protein sequence]
EAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKE
RSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTP
LVGKTVETQVAELIGTNAIAPFLLTMSFAQRQSNLSIVNLCDAMVDQPCM
AFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEEEKD
KWRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLVHA
3D structure
PDB3jqa Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
ChainD
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 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 D R14 I15 H35 N36 S37 L63 N93 S95 T126 K178 P204 G205 S207 L208 R13 I14 H34 N35 S36 L62 N92 S94 T116 K159 P185 G186 S188 L189
BS02 DX4 D S95 F97 Y174 S94 F96 Y155
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:3jqa, PDBe:3jqa, PDBj:3jqa
PDBsum3jqa
PubMed19916554
UniProtQ581W1

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