Structure of PDB 3bmq Chain A

Receptor sequence
>3bmqA (length=253) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence]
EAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKE
RSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTP
LVQGKTVETQVAELIGTNAIAPFLLTMSFAQRQKGSSNLSIVNLCDAMVD
QPCMAFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGE
EEKDKWRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSL
VHA
3D structure
PDB3bmq Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
ChainA
Resolution1.7 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 D146 Y159 K163
Enzyme Commision number ?
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 L63 N93 A94 S95 T126 L159 K178 P204 G205 S207 L208 R13 I14 Y33 H34 N35 S36 L62 N92 A93 S94 T117 L144 K163 P189 G190 S192 L193
BS02 AX5 A S95 F97 Y174 L208 P210 M213 S94 F96 Y159 L193 P195 M198 MOAD: Ki=3.2uM
PDBbind-CN: -logKd/Ki=5.49,Ki=3.2uM
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0047040 pteridine reductase activity

View graph for
Molecular Function
External links
PDB RCSB:3bmq, PDBe:3bmq, PDBj:3bmq
PDBsum3bmq
PubMed19916554
UniProtO76290

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