Structure of PDB 6i6t Chain A

Receptor sequence

>6i6tA (length=259) Species: 9606 (Homo sapiens)

GGLGRAVCLLTGASRGFGRTLAPLLASLLSPGSVLVLSARNDEALRQLEA
ELGAERSGLRVVRVPADLGAEAGLQQLLGALRELPRPKGLQRLLLINNAG
SLGDVSKGFVDLSDSTQVNNYWALNLTSMLCLTSSVLKAFPDSPGLNRTV
VNISSLCALQPFKGWALYCAGKAARDMLFQVLALEEPNVRVLNYAPGPLD
TDMQQLARETSVDPDMRKGLQELKAKGKLVDCKVSAQKLLSLLEKDEFKS
GAHVDFYDK

3D structure

• PDB: 6i6t Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
• Chain: A
• Resolution: 1.79 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 R42 N43 D69 L70 N100 G102 L126 I155 Y170 K174 P198 L201 T203 M205	G12 S14 R15 G16 F17 R40 N41 D67 L68 N98 G100 L124 I153 Y168 K172 P196 L199 T201 M203
BS02	H5B	A	S157 L158 W167 P200 L222 L225	S155 L156 W165 P198 L220 L223
BS03	H5B	A	V9 L83 R88 F142	V7 L81 R86 F140

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:6i6t, PDBe:6i6t, PDBj:6i6t
• PDBsum: 6i6t
• PubMed: 31244106
• UniProt: P35270|SPRE_HUMAN Sepiapterin reductase (Gene Name=SPR)