Structure of PDB 1vs1 Chain A Binding Site BS02

Receptor Information
>1vs1 Chain A (length=270) Species: 56636 (Aeropyrum pernix) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VAGFKGVKLALKSEERRETVVEVEGVRIGGGSKAVIAGPCSVESWEQVRE
AALAVKEAGAHMLRGGAFKPRTSPYSFQGLGLEGLKLLRRAGDEAGLPVV
TEVLDPRHVETVSRYADMLQIGARNMQNFPLLREVGRSGKPVLLKRGFGN
TVEELLAAAEYILLEGNWQVVLVERGIRTFEPSTRFTLDVAAVAVLKEAT
HLPVIVDPSHPAGRRSLVPALAKAGLAAGADGLIVEVHPNPEEALSDAKQ
QLTPGEFARLMGELRWHRLL
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 chain1vs1 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1vs1 Crystal structure of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHP synthase) from Aeropyrum pernix in complex with Mn2+ and PEP
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R70 Q126 G128 A129 K151 R181 H216
Binding residue
(residue number reindexed from 1)		R64 Q120 G122 A123 K145 R175 H210
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
GO:0016832 aldehyde-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0009058 biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1vs1, PDBe:1vs1, PDBj:1vs1
PDBsum1vs1
PubMed
UniProtQ9YEJ7

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