Structure of PDB 3pg9 Chain A Binding Site BS01

Receptor Information
>3pg9 Chain A (length=338) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIVVLKPGSTEEDIRKVVKLAESYNLKCHISKGQERTVIGIIGDDRYVVA
DKFESLDCVESVVRVLKPYKLVSREFHPEDTVIDLGDVKIGNGYFTIIAG
PCSVEGREMLMETAHFLSELGVKVLRGGAYKPRTSPYSFQGLGEKGLEYL
REAADKYGMYVVTEALGEDDLPKVAEYADIIQIGARNAQNFRLLSKAGSY
NKPVLLKRGFMNTIEEFLLSAEYIANSGNTKIILCERGIRTFEKATRNTL
DISAVPIIRKESHLPILVDPSHSGGRRDLVIPLSRAAIAVGAHGIIVEVH
PEPEKALSDGKQSLDFELFKELVQEMKKLADALGVKVN
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain3pg9 Chain A Residue 339 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3pg9 Tyrosine latching of a regulatory gate affords allosteric control of aromatic amino acid biosynthesis
Resolution2.35 Å
Binding residue
(original residue number in PDB)		S31 G33 Q34 E35 R36 V38
Binding residue
(residue number reindexed from 1)		S31 G33 Q34 E35 R36 V38
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.54: 3-deoxy-7-phosphoheptulonate synthase.
Gene Ontology
Molecular Function
GO:0003849 3-deoxy-7-phosphoheptulonate synthase activity
GO:0016740 transferase activity
GO:0016832 aldehyde-lyase activity
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009058 biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process
GO:0009423 chorismate biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3pg9, PDBe:3pg9, PDBj:3pg9
PDBsum3pg9
PubMed21282100
UniProtQ9WYH8|AROF_THEMA Phospho-2-dehydro-3-deoxyheptonate aldolase (Gene Name=aroF)

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