Structure of PDB 7cx0 Chain C Binding Site BS01

Receptor Information
>7cx0 Chain C (length=588) Species: 1351 (Enterococcus faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKLAKGEMNLNALFIGDKAENGQLYKDLLIDLVDEHLGWRQNYMPQDMPV
ISSQERTSKSYEKTVNHMKDVLNEISSRMRTHSVPWHTAGRYWGHMNSET
LMPSLLAYNFAMLWNGNNVAYESSPATSQMEEEVGHEFAHLMSYKNGWGH
IVADGSLANLEGLWYARNIKSLPFAMKEVKPELVAGKSDWELLNMPTKEI
MDLLESAEDEIDEIKAHSARSGKHLQAIGKWLVPQTKHYSWLKAADIIGI
GLDQVIPVPVDHNYRMDINELEKIVRGLAEEQIPVLGVVGVVGSTEEGAV
DSIDKIIALRDELMKDGIYYYVHVDAAYGGYGRAIFLDEDNNFIPYEDLQ
DVHEEYGVFKEKKEHISREVYDAYKAIELAESVTIDPHKMGYIPYSAGGI
VIQDIRMRDVISYFDIPALLGAYILEGSKAGATAASVWAAHHVLPLNVAG
YGKLIGASIEGSHHFYNFLNDLTHTLTHPDFNMVDYVFKEKGNDDLVAMN
KLNHDVYDYASYVKGNIYNNEFITSHTDFAIPDYGNSPLKFVNSDEEWNR
AGKVTVLRAAVMTPYMNDKEEFDVYAPKIQAALQEKLE
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 chain7cx0 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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PDB7cx0 Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor carbidopa
Resolution2.66 Å
Binding residue
(original residue number in PDB)		A123 E125
Binding residue
(residue number reindexed from 1)		A120 E122
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.-
4.1.1.25: tyrosine decarboxylase.
Gene Ontology
Molecular Function
GO:0004058 aromatic-L-amino-acid decarboxylase activity
GO:0004837 tyrosine decarboxylase activity
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0036468 L-dopa decarboxylase activity
Biological Process
GO:0019752 carboxylic acid metabolic process
GO:1903184 L-dopa metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7cx0, PDBe:7cx0, PDBj:7cx0
PDBsum7cx0
PubMed
UniProtQ838D6|TYRDC_ENTFA L-tyrosine decarboxylase (Gene Name=tdc)

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