Structure of PDB 3jq8 Chain A

Receptor sequence
>3jq8A (length=248) Species: 5691 (Trypanosoma brucei) [Search protein sequence]
EAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKE
RSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTP
LVGKTVETQVAELIGTNAIAPFLLTMSFAQRQSNLSIVNLCDAMVDQPCM
AFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPAMGEEEKDK
WRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLVHA
3D structure
PDB3jq8 Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
ChainA
Resolution1.95 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 H33 Y34 H35 N36 S37 D62 L63 N93 A94 S95 T126 C160 D161 K178 P204 G205 S207 R13 I14 H32 Y33 H34 N35 S36 D61 L62 N92 A93 S94 T116 C141 D142 K159 P185 G186 S188
BS02 DX3 A S95 F97 Y174 S94 F96 Y155 MOAD: Ki>35uM
PDBbind-CN: -logKd/Ki=4.46,Ki=35uM
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:3jq8, PDBe:3jq8, PDBj:3jq8
PDBsum3jq8
PubMed19916554
UniProtQ581W1

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