Structure of PDB 4cle Chain D

Receptor sequence
>4cleD (length=250) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence]
EAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKE
RSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTP
LVNGKTVETQVAELIGTNAIAPFLLTMSFAQRQSNLSIVNLCDAMVDQPC
MAFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEEEK
DKWRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLVHA
3D structure
PDB4cle Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
ChainD
Resolution1.8 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 D143 Y156 K160
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 H33 Y34 H35 N36 S37 D62 L63 N93 A94 S95 T126 K178 P204 G205 S207 R13 I14 H32 Y33 H34 N35 S36 D61 L62 N92 A93 S94 T117 K160 P186 G187 S189
BS02 JR2 D S95 F97 Y174 S94 F96 Y156 MOAD: Ki=4.2uM
BS03 JR2 D F97 D161 C168 F171 W221 F96 D143 C150 F153 W203 MOAD: Ki=4.2uM
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:4cle, PDBe:4cle, PDBj:4cle
PDBsum4cle
PubMed25007262
UniProtO76290

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