Structure of PDB 1nas Chain A Binding Site BS03

Receptor Information
>1nas Chain A (length=259) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADGLGCAVCVLTGASRGFGRALAPQLARLLSPGSVMLVSARSESMLRQLK
EELGAQQPDLKVVLAAADLGTEAGVQRLLSAVRELPRPEGLQRLLLINNA
ATLGDVSKGFLNVNDLAEVNNYWALNLTSMLCLTSGTLNAFQDSPGLSKT
VVNISSLCALQPYKGWGLYCAGKAARDMLYQVLAAEEPSVRVLSYAPGPL
DNDMQQLARETSKDPELRSKLQKLKSDGALVDCGTSAQKLLGLLQKDTFQ
SGAHVDFYD
Ligand information
Ligand IDASE
InChIInChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
InChIKeyMVAWJSIDNICKHF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(NCCc2c1cc(O)ccc1nc2)C
CACTVS 3.341CC(=O)NCCc1c[nH]c2ccc(O)cc12
OpenEye OEToolkits 1.5.0CC(=O)NCCc1c[nH]c2c1cc(cc2)O
FormulaC12 H14 N2 O2
NameN-ACETYL SEROTONIN
ChEMBLCHEMBL33103
DrugBankDB04275
ZINCZINC000000066104
PDB chain1nas Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1nas The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		L159 Y165 W168 G200 K222 D258 Y260
Binding residue
(residue number reindexed from 1)		L157 Y163 W166 G198 K220 D256 Y258
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.153: sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming).
Gene Ontology
Molecular Function
GO:0004757 sepiapterin reductase (NADP+) activity
GO:0016491 oxidoreductase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0006558 L-phenylalanine metabolic process
GO:0006729 tetrahydrobiopterin biosynthetic process
GO:0019889 pteridine metabolic process
GO:0040014 regulation of multicellular organism growth
GO:0042415 norepinephrine metabolic process
GO:0042417 dopamine metabolic process
GO:0042428 serotonin metabolic process
GO:0046146 tetrahydrobiopterin metabolic process
GO:0048667 cell morphogenesis involved in neuron differentiation
GO:0050882 voluntary musculoskeletal movement
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1nas, PDBe:1nas, PDBj:1nas
PDBsum1nas
PubMed9405351
UniProtQ64105|SPRE_MOUSE Sepiapterin reductase (Gene Name=Spr)

[Back to BioLiP]