Structure of PDB 3jqg Chain D

Receptor sequence
>3jqgD (length=249) Species: 5691 (Trypanosoma brucei) [Search protein sequence]
EAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKE
RSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTP
LVGKTVETQVAELIGTNAIAPFLLTMSFAQRQSNLSIVNLCDAMVDQPCM
AFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEEEKD
KWRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLVHA
3D structure
PDB3jqg 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 Y34 H35 N36 S37 D62 L63 N93 A94 S95 T126 L159 C160 K178 P204 S207 R13 I14 Y33 H34 N35 S36 D61 L62 N92 A93 S94 T116 L140 C141 K159 P185 S188
BS02 AX6 D S95 F97 Y174 P210 M213 S94 F96 Y155 P191 M194 MOAD: Ki=18uM
PDBbind-CN: -logKd/Ki=4.74,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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