Structure of PDB 4grs Chain C Binding Site BS02
Receptor Information
>4grs Chain C (length=332) Species:
186497,243274
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MIVVLKPGSTEEDIRKVVKLAESYNLKCHISKGQERTVIGIIGDDRYVVA
DKFESLDCVESVVRVLKPYKLVSREFHPEDTVIDLGDVKIGNGYFTIIAG
PCSIESRDQIMKVAEFLAEVGIKVLRGGAFKPRTSPYFQGYGEKALRWMR
EAADEYGLVTVTEVMDTRHVELVAKYSDILQIGARNSQNFELLKEVGKVE
NPVLLKRGMGNTIQELLYSAEYIMAQGNENVILCERGIRTFETATRFTLD
ISAVPVVKELSHLPIIVDPSHPAGRRSLVIPLAKAAYAIGADGIMVEVHP
EPEKALSDSQQQLTFDDFLQLLKELEALGWKG
Ligand information
Ligand ID
TYR
InChI
InChI=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
InChIKey
OUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0
c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0
c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341
N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341
N[C@@H](Cc1ccc(O)cc1)C(O)=O
Formula
C9 H11 N O3
Name
TYROSINE
ChEMBL
CHEMBL925
DrugBank
DB00135
ZINC
ZINC000000266964
PDB chain
4grs Chain A Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
4grs
Engineering allosteric control to an unregulated enzyme by transfer of a regulatory domain
Resolution
3.0 Å
Binding residue
(original residue number in PDB)
M1 I42 D45 L66
Binding residue
(residue number reindexed from 1)
M1 I42 D45 L66
Annotation score
1
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
View graph for
Biological Process
External links
PDB
RCSB:4grs
,
PDBe:4grs
,
PDBj:4grs
PDBsum
4grs
PubMed
23345433
UniProt
Q8U0A9
;
Q9WYH8
|AROF_THEMA Phospho-2-dehydro-3-deoxyheptonate aldolase (Gene Name=aroF)
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