Structure of PDB 1hfb Chain B Binding Site BS01

Receptor Information
>1hfb Chain B (length=336) 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
NKYGVSITDACIGWETTEDVLRKLAAAVRQRREVNK
Ligand information
Ligand IDPEP
InChIInChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKeyDTBNBXWJWCWCIK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(C(=O)O)OP(=O)(O)O
CACTVS 3.341OC(=O)C(=C)O[P](O)(O)=O
ACDLabs 10.04O=C(O)C(\OP(=O)(O)O)=C
FormulaC3 H5 O6 P
NamePHOSPHOENOLPYRUVATE
ChEMBLCHEMBL1235228
DrugBankDB01819
ZINCZINC000003870145
PDB chain1hfb Chain B Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hfb Evolution of Feedback-Inhibited Beta /Alpha Barrel Isoenzymes by Gene Duplication and a Single Mutation
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R107 Y109 K112 G178 A179 R180 K201 R249 H282
Binding residue
(residue number reindexed from 1)		R85 Y87 K90 G156 A157 R158 K179 R227 H260
Annotation score5
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:1hfb, PDBe:1hfb, PDBj:1hfb
PDBsum1hfb
PubMed12540830
UniProtP32449|AROG_YEAST Phospho-2-dehydro-3-deoxyheptonate aldolase, tyrosine-inhibited (Gene Name=ARO4)

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