Structure of PDB 3jq9 Chain A

Receptor sequence
>3jq9A (length=249) Species: 5691 (Trypanosoma brucei) [Search protein sequence]
EAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKE
RSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTP
LVGKTVETQVAELIGTNAIAPFLLTMSFAQRQSNLSIVNLCDAMVDQPCM
AFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEEEKD
KWRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLVHA
3D structure
PDB3jq9 Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
ChainA
Resolution2.3 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 H35 N36 S37 D62 L63 N93 A94 S95 T126 L159 K178 P204 R13 I14 H34 N35 S36 D61 L62 N92 A93 S94 T116 L140 K159 P185
BS02 AX1 A S95 F97 D161 M163 C168 Y174 P210 S94 F96 D142 M144 C149 Y155 P191 MOAD: Ki=0.4uM
PDBbind-CN: -logKd/Ki=6.40,Ki=0.4uM
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:3jq9, PDBe:3jq9, PDBj:3jq9
PDBsum3jq9
PubMed19916554
UniProtQ581W1

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