Structure of PDB 1sep Chain A Binding Site BS02

Receptor Information
>1sep 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 IDBIO
InChIInChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m1/s1
InChIKeyLHQIJBMDNUYRAM-AWFVSMACSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O
ACDLabs 10.04O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)C
CACTVS 3.341C[CH](O)[CH](O)c1cnc2N=C(N)NC(=O)c2n1
CACTVS 3.341C[C@@H](O)[C@@H](O)c1cnc2N=C(N)NC(=O)c2n1
OpenEye OEToolkits 1.5.0CC(C(c1cnc2c(n1)C(=O)NC(=N2)N)O)O
FormulaC9 H11 N5 O3
NameBIOPTERIN
ChEMBL
DrugBankDB03886
ZINCZINC000017129255
PDB chain1sep Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1sep The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		S158 L159 W168 Y171 A198 G200 D258 Y260
Binding residue
(residue number reindexed from 1)		S156 L157 W166 Y169 A196 G198 D256 Y258
Annotation score2
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1sep, PDBe:1sep, PDBj:1sep
PDBsum1sep
PubMed9405351
UniProtQ64105|SPRE_MOUSE Sepiapterin reductase (Gene Name=Spr)

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