Structure of PDB 4c1k Chain B Binding Site BS01

Receptor Information
>4c1k Chain B (length=262) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKYSKEYKEKTVVKINDVKFGEGFTIIAGPCSIESRDQIMKVAEFLAEVG
IKVLRGGAFKPRTSPYSFQGYGEKALRWMREAADEYGLVTVTEVMDTRHV
ELVAKYSDILQIGARNSQNFELLKEVGKVENPVLLKRGMGNTIQELLYSA
EYIMAQGNENVILCERGIRTFETATRFTLDISAVPVVKELSHLPIIVDPS
HPAGRRSLVIPLAKAAYAIGADGIMVEVHPEPEKALSDSQQQLTFDDFLQ
LLKELEALGWKG
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 chain4c1k Chain B Residue 1263 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4c1k Destabilization of the Homotetrameric Assembly of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase from the Hyperthermophile Pyrococcus Furiosus Enhances Enzymatic Activity
Resolution2.15 Å
Binding residue
(original residue number in PDB)		R55 Q111 K136 R166 H201
Binding residue
(residue number reindexed from 1)		R55 Q111 K136 R166 H201
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4c1k, PDBe:4c1k, PDBj:4c1k
PDBsum4c1k
PubMed24239948
UniProtQ8U0A9

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