Structure of PDB 1ofq Chain A Binding Site BS01

Receptor Information
>1ofq Chain A (length=343) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRILGYDPLASPALLQVQIPATPTSLETAKRGRREAIDIITGKDDRVLVI
VGPCSIHDLEAAQEYALRLKKLSDELKGDLSIIMRAYLEKPVGWKGLIND
PDVNNTFNINKGLQSARQLFVNLTNIGLPIGSEMLDTISPQYLADLVSFG
AIGARTTESQLHRELASGLSFPVGFKNGTDGTLNVAVDACQAAAHSHHFM
GVTHGVAAITTTKGNEHCFVILRGGKKGTNYDAKSVAEAKAQLPAGSNGL
MIDYSHGNSNKDFRNQPKVNDVVCEQIANGENAITGVMIESNINEGNQGI
PAEGKAGLKYGVSITDACIGWETTEDVLRKLAAAVRQRREVNK
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain1ofq Chain A Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1ofq Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism
Resolution2.7 Å
Binding residue
(original residue number in PDB)
C1076 H1282 E1316 D1342
Binding residue
(residue number reindexed from 1)
C54 H256 E290 D316
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
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
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

View graph for
Molecular Function

View graph for
Biological Process

View graph for
Cellular Component
External links
PDB RCSB:1ofq, PDBe:1ofq, PDBj:1ofq
PDBsum1ofq
PubMed15019786
UniProtP32449|AROG_YEAST Phospho-2-dehydro-3-deoxyheptonate aldolase, tyrosine-inhibited (Gene Name=ARO4)

[Back to BioLiP]