Structure of PDB 6eem Chain A Binding Site BS01

Receptor Information
>6eem Chain A (length=487) Species: 3469 (Papaver somniferum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNPLDPDEFRRQGHMIIDFLADYYKNVEKYPVRSQVEPGYLKKRLPESAP
YNPESIETILEDVTNDIIPGLTHWQSPNYFAYFPSSGSIAGFLGEMLSTG
FNVVGFNWMSSPAATELESIVMNWLGQMLTLPKSFLFSSDGGGGGVLQGT
TCEAILCTLTAARDKMLNKIGRENINKLVVYASDQTHCALQKAAQIAGIN
PKNVRAIKTSKATNFGLSPNSLQSAILADIESGLVPLFLCATVGTTSSTA
VDPIGPLCAVAKLYGIWVHIDAAYAGSACICPEFRHFIDGVEDADSFSLN
AHKWFFTTLDCCCLWVKDSDSLVKALSTSPEYLKNQVIDYKDWQIALSRR
FRSMKLWLVLRSYGVANLRTFLRSHVKMAKHFQGLIGMDNRFEIVVPRTF
AMVCFRLKPTAIFKQKIVDNDYIEDQTNEVNVKLLESVNASGKIYMTHAV
VGGVYMIRFAVGATLTEERHVTGAWKVVQEHTDAILG
Ligand information
Ligand ID0PR
InChIInChI=1S/C17H21N2O8P/c1-10-16(21)14(12(7-18-10)9-27-28(24,25)26)8-19-15(17(22)23)6-11-2-4-13(20)5-3-11/h2-5,7,15,19-21H,6,8-9H2,1H3,(H,22,23)(H2,24,25,26)/t15-/m0/s1
InChIKeyAGEIFYRIXWJCET-HNNXBMFYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)Cc2ccc(O)cc2
OpenEye OEToolkits 1.7.0Cc1c(c(c(cn1)COP(=O)(O)O)CNC(Cc2ccc(cc2)O)C(=O)O)O
CACTVS 3.370Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H](Cc2ccc(O)cc2)C(O)=O)c1O
OpenEye OEToolkits 1.7.0Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](Cc2ccc(cc2)O)C(=O)O)O
CACTVS 3.370Cc1ncc(CO[P](O)(O)=O)c(CN[CH](Cc2ccc(O)cc2)C(O)=O)c1O
FormulaC17 H21 N2 O8 P
NameN-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine;
PHOSPHO-5'-PYRIDOXYL TYROSINE
ChEMBLCHEMBL3228257
DrugBank
ZINCZINC000003606278
PDB chain6eem 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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PDB6eem Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins.
Resolution2.61001 Å
Binding residue
(original residue number in PDB)		W90 F99 T168 T169 C170 H205 T264 D289 A291 K321
Binding residue
(residue number reindexed from 1)		W74 F83 T150 T151 C152 H187 T246 D271 A273 K303
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.25: tyrosine decarboxylase.
Gene Ontology
Molecular Function
GO:0004837 tyrosine decarboxylase activity
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0019752 carboxylic acid metabolic 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:6eem, PDBe:6eem, PDBj:6eem
PDBsum6eem
PubMed32371491
UniProtO82415|TYDC_PAPSO Tyrosine decarboxylase (Gene Name=TYDC)

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