Structure of PDB 7cx1 Chain A Binding Site BS01

Receptor Information
>7cx1 Chain A (length=602) Species: 1351 (Enterococcus faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGEMNLNALFIGDKAENGQLYKDLLIDLVDEHLGWRQNYMPQDMPVISSQ
ERTSKSYEKTVNHMKDVLNEISSRMRTHSVPWHTAGRYWGHMNSETLMPS
LLAYNFAMLWNGNNVAYESSPATSQMEEEVGHEFAHLMSYKNGWGHIVAD
GSLANLEGLWYARNIKSLPFAMKEVKPELVAGKSDWELLNMPTKEIMDLL
ESAEDEIDEIKAHSARSGKHLQAIGKWLVPQTKHYSWLKAADIIGIGLDQ
VIPVPVDHNYRMDINELEKIVRGLAEEQIPVLGVVGVVGSTEEGAVDSID
KIIALRDELMKDGIYYYVHVDAAYGGYGRAIFLDEDNNFIPYEDLQDVHE
EYGVFKEKKEHISREVYDAYKAIELAESVTIDPHKMGYIPYSAGGIVIQD
IRMRDVISYFDIPALLGAYILEGSKAGATAASVWAAHHVLPLNVAGYGKL
IGASIEGSHHFYNFLNDLTFKVGDKEIEVHTLTHPDFNMVDYVFKEKGND
DLVAMNKLNHDVYDYASYVKGNIYNNEFITSHTDFAIPDYGNSPLKFVNS
LGFSDEEWNRAGKVTVLRAAVMTPYMNDKEEFDVYAPKIQAALQEKLEQI
YD
Ligand information
Ligand IDGKU
InChIInChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m1/s1
InChIKeySBUQZKJEOOQSBV-MRVPVSSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN[C@H](C)Cc1ccc(O)cc1
OpenEye OEToolkits 2.0.7C[C@H](Cc1ccc(cc1)O)NC
OpenEye OEToolkits 2.0.7CC(Cc1ccc(cc1)O)NC
CACTVS 3.385CN[CH](C)Cc1ccc(O)cc1
FormulaC10 H15 N O
Name4-[(2R)-2-(methylamino)propyl]phenol
ChEMBL
DrugBank
ZINCZINC000000394355
PDB chain7cx1 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cx1 Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor methyl-tyrosine
Resolution2.54 Å
Binding residue
(original residue number in PDB)		M99 N100 H241 T298
Binding residue
(residue number reindexed from 1)		M92 N93 H234 T291
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7cx1, PDBe:7cx1, PDBj:7cx1
PDBsum7cx1
PubMed
UniProtQ838D6|TYRDC_ENTFA L-tyrosine decarboxylase (Gene Name=tdc)

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