Structure of PDB 6i6p Chain A

Receptor sequence
>6i6pA (length=270) Species: 9606 (Homo sapiens) [Search protein sequence]
HHENLYFQGMEGGLGRAVCLLTGASRGFGRTLAPLLASLLSPGSVLVLSA
RNDEALRQLEAELGAERSGLRVVRVPADLGAEAGLQQLLGALRELPRPKG
LQRLLLINNAGSLGDVSKGFVDLSDSTQVNNYWALNLTSMLCLTSSVLKA
FPDSPGLNRTVVNISSLCALQPFKGWALYCAGKAARDMLFQVLALEEPNV
RVLNYAPGPLDTDMQQLARETSVDPDMRKGLQELKAKGKLVDCKVSAQKL
LSLLEKDEFKSGAHVDFYDK
3D structure
PDB6i6p Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
ChainA
Resolution1.62 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 1.1.1.153: sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming).
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 G14 S16 R17 G18 F19 A41 R42 N43 D69 L70 N100 L126 I155 Y170 K174 P198 P200 L201 T203 M205 G23 S25 R26 G27 F28 A50 R51 N52 D78 L79 N109 L135 I164 Y179 K183 P207 P209 L210 T212 M214
BS02 H4T A S157 F164 W167 Y170 M205 Q206 M218 S166 F173 W176 Y179 M214 Q215 M227 MOAD: ic50=0.58uM
BindingDB: IC50=580nM
Gene Ontology
Molecular Function
GO:0004033 aldo-keto reductase (NADPH) activity
GO:0004757 sepiapterin reductase (NADP+) activity
GO:0016491 oxidoreductase activity
GO:0050661 NADP binding
Biological Process
GO:0006729 tetrahydrobiopterin biosynthetic process
GO:0006809 nitric oxide biosynthetic process
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6i6p, PDBe:6i6p, PDBj:6i6p
PDBsum6i6p
PubMed31244106
UniProtP35270|SPRE_HUMAN Sepiapterin reductase (Gene Name=SPR)

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