Structure of PDB 3h4v Chain A

Receptor sequence
>3h4vA (length=273) Species: 5664 (Leishmania major) [Search protein sequence]
TVPVALVTGAAKRLGRSIAEGLHAEGYAVCLHYHRSAAEANALSATLNAR
RPNSAITVQADLSNVATAPVADGSAPVTLFTRCAELVAACYTHWGRCDVL
VNNASSFYPTPLLRNGDREAMETATADLFGSNAIAPYFLIKAFAHRVAGT
PAKHRGTNYSIINMVDAMTNQPLLGYTIYTMAKGALEGLTRSAALELAPL
QIRVNGVGPGLSVLVDDMPPAVWEGHRSKVPLYQRDSSAAEVSDVVIFLC
SSKAKYITGTCVKVDGGYSLTRA
3D structure
PDB3h4v Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development
ChainA
Resolution2.4 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) R17 D181 Y194
Catalytic site (residue number reindexed from 1) R13 D166 Y179
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 A R17 L18 H36 Y37 H38 R39 S40 L66 N109 A110 S111 S112 M179 V180 K198 P224 L226 S227 R13 L14 H32 Y33 H34 R35 S36 L62 N103 A104 S105 S106 M164 V165 K183 P209 L211 S212
BS02 DVP A S111 F113 L188 Y194 L226 S105 F107 L173 Y179 L211 MOAD: Ki=0.1uM
BindingDB: Ki=100nM
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3h4v, PDBe:3h4v, PDBj:3h4v
PDBsum3h4v
PubMed18245389
UniProtQ01782|PTR1_LEIMA Pteridine reductase 1 (Gene Name=PTR1)

[Back to BioLiP]