Structure of PDB 4c1k Chain F Binding Site BS01
Receptor Information
>4c1k Chain F (length=262) Species:
2261
(Pyrococcus furiosus) [
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MKYSKEYKEKTVVKINDVKFGEGFTIIAGPCSIESRDQIMKVAEFLAEVG
IKVLRGGAFKPRTSPYSFQGYGEKALRWMREAADEYGLVTVTEVMDTRHV
ELVAKYSDILQIGARNSQNFELLKEVGKVENPVLLKRGMGNTIQELLYSA
EYIMAQGNENVILCERGIRTFETATRFTLDISAVPVVKELSHLPIIVDPS
HPAGRRSLVIPLAKAAYAIGADGIMVEVHPEPEKALSDSQQQLTFDDFLQ
LLKELEALGWKG
Ligand information
Ligand ID
PEP
InChI
InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKey
DTBNBXWJWCWCIK-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C=C(C(=O)O)OP(=O)(O)O
CACTVS 3.341
OC(=O)C(=C)O[P](O)(O)=O
ACDLabs 10.04
O=C(O)C(\OP(=O)(O)O)=C
Formula
C3 H5 O6 P
Name
PHOSPHOENOLPYRUVATE
ChEMBL
CHEMBL1235228
DrugBank
DB01819
ZINC
ZINC000003870145
PDB chain
4c1k Chain F Residue 1264 [
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Receptor-Ligand Complex Structure
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PDB
4c1k
Destabilization of the Homotetrameric Assembly of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase from the Hyperthermophile Pyrococcus Furiosus Enhances Enzymatic Activity
Resolution
2.15 Å
Binding residue
(original residue number in PDB)
R55 Q111 G113 A114 K136 R166 H201
Binding residue
(residue number reindexed from 1)
R55 Q111 G113 A114 K136 R166 H201
Annotation score
5
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
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Biological Process
External links
PDB
RCSB:4c1k
,
PDBe:4c1k
,
PDBj:4c1k
PDBsum
4c1k
PubMed
24239948
UniProt
Q8U0A9
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