Structure of PDB 4grs Chain D Binding Site BS01

Receptor Information
>4grs Chain D (length=331) Species: 186497,243274 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIVVLKPGSTEEDIRKVVKLAESYNLKCHISKGQERTVIGIIGDDRYVVA
DKFESLDCVESVVRVLKPYKLVSREFHPEDTVIDLGDVKIGNGYFTIIAG
PCSIESRDQIMKVAEFLAEVGIKVLRGGAFKPRPYSFQGYGEKALRWMRE
AADEYGLVTVTEVMDTRHVELVAKYSDILQIGARNSQNFELLKEVGKVEN
PVLLKRGMGNTIQELLYSAEYIMAQGNENVILCERGIRTFETATRFTLDI
SAVPVVKELSHLPIIVDPSHPAGRRSLVIPLAKAAYAIGADGIMVEVHPE
PEKALSDSQQQLTFDDFLQLLKELEALGWKG
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 chain4grs Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4grs Engineering allosteric control to an unregulated enzyme by transfer of a regulatory domain
Resolution3.0 Å
Binding residue
(original residue number in PDB)		S31 Q34 R36 V38
Binding residue
(residue number reindexed from 1)		S31 Q34 R36 V38
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.54: 3-deoxy-7-phosphoheptulonate synthase.
Gene Ontology
Molecular Function
GO:0016832 aldehyde-lyase activity
Biological Process
GO:0009058 biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4grs, PDBe:4grs, PDBj:4grs
PDBsum4grs
PubMed23345433
UniProtQ8U0A9;
Q9WYH8|AROF_THEMA Phospho-2-dehydro-3-deoxyheptonate aldolase (Gene Name=aroF)

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