Structure of PDB 6i6c Chain A

Receptor sequence

>6i6cA (length=266) Species: 9606 (Homo sapiens)

HENLYFQGMEGGLGRAVCLLTGASRGFGRTLAPLLASLLSPGSVLVLSAR
NDEALRQLEAELGAEGLRVVRVPADLGAEAGLQQLLGALRELPRPKGLQR
LLLINNAGSLGDVSKGFVDLSDSTQVNNYWALNLTSMLCLTSSVLKAFPD
SPGLNRTVVNISSLCALQPFKGWALYCAGKAARDMLFQVLALEEPNVRVL
NYAPGPLDTDMQQLARETSVDPDMRKGLQELKAKGKLVDCKVSAQKLLSL
LEKDEFKSGAHVDFYD

3D structure

• PDB: 6i6c Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
• Chain: A
• Resolution: 1.72 Å

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	G22 S24 R25 G26 F27 A49 R50 N51 D75 L76 N106 L132 I161 Y176 K180 P204 P206 L207 T209 M211
BS02	H4H	A	S157 L158 C159 F164 Y170 P200 M205 Q206 A209 L222 L225	S163 L164 C165 F170 Y176 P206 M211 Q212 A215 L228 L231

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

External links

• PDB: RCSB:6i6c, PDBe:6i6c, PDBj:6i6c
• PDBsum: 6i6c
• PubMed: 31244106
• UniProt: P35270|SPRE_HUMAN Sepiapterin reductase (Gene Name=SPR)