Structure of PDB 1ofa Chain B Binding Site BS01

Receptor Information
>1ofa Chain B (length=338) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRILGYDPLASPALLQVQIPATPTSLETAKRGRREAIDIITGKDDRVLVI
VGPCSIHDLEAAQEYALRLKKLSDELKGDLSIIMRAYLEKPRTTVGWKGL
INDPDVNNTFNINKGLQSARQLFVNLTNIGLPIGSEMLDTISPQYLADLV
SFGAIGARTTESQLHRELASGLSFPVGFKNGTDGTLNVAVDACQAAAHSH
HFMGVTKHGVAAITTTKGNEHCFVILRGGKKGTNYDAKSVAEAKAQLPAG
SNGLMIDYSHGNSNKDFRNQPKVNDVVCEQIANGENAITGVMIESNINEG
NQGKYGVSITDACIGWETTEDVLRKLAAAVRQRREVNK
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain1ofa Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ofa Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism
Resolution2.02 Å
Binding residue
(original residue number in PDB)		C76 H282 E316 D342
Binding residue
(residue number reindexed from 1)		C54 H260 E294 D311
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ofa, PDBe:1ofa, PDBj:1ofa
PDBsum1ofa
PubMed15019786
UniProtP32449|AROG_YEAST Phospho-2-dehydro-3-deoxyheptonate aldolase, tyrosine-inhibited (Gene Name=ARO4)

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