Structure of PDB 4cm4 Chain B

Receptor sequence
>4cm4B (length=251) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence]
EAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKE
RSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTP
LVGKTVETQVAELIGTNAIAPFLLTMSFAQRQKSSNLSIVNLCDAMVDQP
CMAFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEEE
KDKWRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLVH
A
3D structure
PDB4cm4 Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
ChainB
Resolution1.81 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 D144 Y157 K161
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 B R14 I15 Y34 H35 N36 S37 D62 L63 N93 A94 S95 T126 K178 P204 G205 S207 R13 I14 Y33 H34 N35 S36 D61 L62 N92 A93 S94 T116 K161 P187 G188 S190
BS02 4NR B S95 F97 Y174 L209 P210 W221 S94 F96 Y157 L192 P193 W204 MOAD: Ki=0.48uM
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:4cm4, PDBe:4cm4, PDBj:4cm4
PDBsum4cm4
PubMed25007262
UniProtO76290

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