Structure of PDB 1js3 Chain B Binding Site BS02

Receptor Information
>1js3 Chain B (length=464) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNASDFRRRGKEMVDYMADYLEGIEGRQVYPDVQPGYLRPLIPATAPQEP
DTFEDILQDVEKIIMPGVTHWHSPYFFAYFPTASSYPAMLADMLCGAIGC
IGFSWAASPACTELETVMMDWLGKMLQLPEAFLAGEAGEGGGVIQGSASE
ATLVALLAARTKVVRRLQAASPGLTQGAVLEKLVAYASDQAHSSVERAGL
IGGVKLKAIPSDGKFAMRASALQEALERDKAAGLIPFFVVATLGTTSCCS
FDNLLEVGPICHEEDIWLHVDAAYAGSAFICPEFRHLLNGVEFADSFNFN
PHKWLLVNFDCSAMWVKRRTDLTGAFKSGLITDYRHWQLPLGRRFRSLKM
WFVFRMYGVKGLQAYIRKHVQLSHEFEAFVLQDPRFEVCAEVTLGLVCFR
LKGSDGLNEALLERINSARKIHLVPCRLRGQFVLRFAICSRKVESGHVRL
AWEHIRGLAAELLA
Ligand information
Ligand ID142
InChIInChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyTZFNLOMSOLWIDK-JTQLQIEISA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O
ACDLabs 10.04O=C(O)C(NN)(Cc1cc(O)c(O)cc1)C
CACTVS 3.341C[C](Cc1ccc(O)c(O)c1)(NN)C(O)=O
OpenEye OEToolkits 1.5.0CC(Cc1ccc(c(c1)O)O)(C(=O)O)NN
OpenEye OEToolkits 1.5.0C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)NN
FormulaC10 H14 N2 O4
NameCARBIDOPA;
KINSON;
3-(3,4-DIHYDROXY-PHENYL)-2-HYDRAZINO-2-METHYL-PROPIONIC ACID
ChEMBLCHEMBL1201236
DrugBankDB00190
ZINCZINC000019168887
PDB chain1js3 Chain B Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1js3 Structural insight into Parkinson's disease treatment from drug-inhibited DOPA decarboxylase.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		W71 Y79 F80 T82 H192 K303
Binding residue
(residue number reindexed from 1)		W71 Y79 F80 T82 H192 K303
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:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0036467 5-hydroxy-L-tryptophan decarboxylase activity
GO:0036468 L-dopa decarboxylase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006584 catecholamine metabolic process
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1js3, PDBe:1js3, PDBj:1js3
PDBsum1js3
PubMed11685243
UniProtP80041|DDC_PIG Aromatic-L-amino-acid decarboxylase (Gene Name=DDC)

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