Structure of PDB 6enz Chain B Binding Site BS01

Receptor Information
>6enz Chain B (length=486) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDGVVLNGPQTDVKAGEKFVEEACRLIMEEVVLKATDVNEKVCEWQPPEQ
LRQLLDLEMRDTGESQDKLLKLCQDVIHFSVKTNHPRFFNQLYAGLDYYS
LAARIITEALNPSIYTYEVSPVFLLVEEAVLKKMIECVGWKEGDGIFNPG
GSVSNMCAMNLARYRHCPDIKEKGLSGLPRLILFTSAECHYSMKKAASFL
GIGTQNVYFVETDGRGKMIPEDLEKQIWQARQEGAVPFLVCATSGTTVLG
AFDPLDEIAEVCERHGLWLHVDASWGGSALVSRKHRRLLHGIHRADSVAW
NPHKMLMAGIQCSALLVKDKSDLLKKCYSAKADKFYDVSYDTGDKSIQCS
RRPDAFKFWMTWKALGTSGLEERVNRAFALSRYLVDEIKKREGFKLLMEP
EYTNVCFWYIPPSLREMEEGPEFWRKLSLVAPAIKEKMMKKGSLMLGYQP
HRGKVNFFRQVVISPQVSREDMDFLLDEIDSLGRDM
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain6enz Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6enz Structure of the mouse acidic amino acid decarboxylase GADL1.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C365 S366
Binding residue
(residue number reindexed from 1)		C349 S350
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.11: aspartate 1-decarboxylase.
4.1.1.29: sulfinoalanine decarboxylase.
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0004068 aspartate 1-decarboxylase activity
GO:0004782 sulfinoalanine decarboxylase activity
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0008150 biological_process
GO:0019752 carboxylic acid metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6enz, PDBe:6enz, PDBj:6enz
PDBsum6enz
PubMed29372909
UniProtQ80WP8|GADL1_MOUSE Acidic amino acid decarboxylase GADL1 (Gene Name=Gadl1)

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