Structure of PDB 6rxc Chain A

Receptor sequence
>6rxcA (length=263) Species: 5664 (Leishmania major) [Search protein sequence]
TVPVALVTGAAKRLGRSIAEGLHAEGYAVCLHYHRSAAEANALSATLNAR
RPNSAITVQADLSNVATAPAPVTLFTRCAELVAACYTHWGRCDVLVNNAS
SFYPTPLLRNREAMETATADLFGSNAIAPYFLIKAFAHRVAGTPAKHRGT
NYSIINMVDAMTNQPLLGYTIYTMAKGALEGLTRSAALELAPLQIRVNGV
GPGLSVLMPPAVWEGHRSKVPLYQRDSSAAEVSDVVIFLCSSKAKYITGT
CVKVDGGYSLTRA
3D structure
PDB6rxc Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
ChainA
Resolution2.1 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) R17 D181 Y194
Catalytic site (residue number reindexed from 1) R13 D159 Y172
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 NDP A R17 L18 H36 Y37 H38 R39 S40 L66 N109 A110 S111 S112 S146 M179 D181 K198 P224 S227 R13 L14 H32 Y33 H34 R35 S36 L62 N98 A99 S100 S101 S124 M157 D159 K176 P202 S205
BS02 KMK A S111 F113 L188 Y191 Y194 L226 S100 F102 L166 Y169 Y172 L204
Gene Ontology
Molecular Function
GO:0004155 6,7-dihydropteridine reductase activity
GO:0016491 oxidoreductase activity
GO:0047040 pteridine reductase activity
Biological Process
GO:0006729 tetrahydrobiopterin biosynthetic process
GO:0031427 response to methotrexate
Cellular Component
GO:0005829 cytosol

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Cellular Component
External links
PDB RCSB:6rxc, PDBe:6rxc, PDBj:6rxc
PDBsum6rxc
PubMed35675511
UniProtQ01782|PTR1_LEIMA Pteridine reductase 1 (Gene Name=PTR1)

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