Structure of PDB 3rbf Chain A Binding Site BS01

Receptor Information
>3rbf Chain A (length=443) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNASEFRRRGKEMVDYVANYMEGIEGRQVYPDVEPGYLRPLIPAAAPQEP
DTFEDIINDVEKIIMPGVTHWHSPYFFAYFPTASSYPAMLADMLCGAIGC
IASPACTELETVMMDWLGKMLELPKAFLNEKAGEGGGVIQGSASEATLVA
LLAARTKVIHRLQAASPELTQAAIMEKLVAYSSDQAHSSVERAGLIGGVK
LKAIPSDGNFAMRASALQEALERDKAAGLIPFFMVATLGTTTCCSFDNLL
EVGPICNKEDIWLHVDAAYAGSAFICPEFRHLLNGVEFADSFNFNPHKWL
LVNFDCSAMWVKKRTDLRRFRSLKMWFVFRMYGVKGLQAYIRKHVQLSHE
FESLVRQDPRFEICVEVILGLVCFRLKGSNKVNEALLQRINSAKKIHLVP
CHLRDKFVLRFAICSRTVESAHVQRAWEHIKELAADVLRAERE
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 chain3rbf Chain A Residue 481 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rbf Open conformation of human DOPA decarboxylase reveals the mechanism of PLP addition to Group II decarboxylases.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		A148 H192 T246 D271 A273 N300 H302 K303
Binding residue
(residue number reindexed from 1)		A143 H187 T241 D266 A268 N295 H297 K298
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.28: aromatic-L-amino-acid decarboxylase.
Gene Ontology
Molecular Function
GO:0004058 aromatic-L-amino-acid decarboxylase activity
GO:0005515 protein binding
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
GO:0019899 enzyme binding
GO:0030170 pyridoxal phosphate binding
GO:0036467 5-hydroxy-L-tryptophan decarboxylase activity
GO:0036468 L-dopa decarboxylase activity
Biological Process
GO:0001822 kidney development
GO:0006520 amino acid metabolic process
GO:0006584 catecholamine metabolic process
GO:0009636 response to toxic substance
GO:0010467 gene expression
GO:0019752 carboxylic acid metabolic process
GO:0042416 dopamine biosynthetic process
GO:0042423 catecholamine biosynthetic process
GO:0042427 serotonin biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3rbf, PDBe:3rbf, PDBj:3rbf
PDBsum3rbf
PubMed22143761
UniProtP20711|DDC_HUMAN Aromatic-L-amino-acid decarboxylase (Gene Name=DDC)

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