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PDBsum entry 4x9v
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Transferase/transferase inhibitor
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PDB id
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4x9v
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PDB id:
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| Name: |
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Transferase/transferase inhibitor
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Title:
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Plk-1 polo-box domain in complex with bioactive imidazolium-containing phosphopeptide macrocycle 3c
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Structure:
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Serine/threonine-protein kinase plk1. Chain: a. Fragment: polo box domain residues 371-603. Synonym: polo-like kinase 1,plk-1,serine/threonine-protein kinase 13, stpk13. Engineered: yes. Phosphopeptide macrocycle 3c. Chain: b. Synonym: 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone.
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: plk1, plk. Expressed in: escherichia coli. Expression_system_taxid: 562. Synthetic: yes. Synthetic construct. Organism_taxid: 32630
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Resolution:
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1.43Å
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R-factor:
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0.141
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R-free:
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0.173
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Authors:
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R.A.Grant,W.-J.Qian,M.B.Yaffe,T.R.Burke
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Key ref:
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W.J.Qian
et al.
(2015).
Neighbor-directed histidine N (τ)-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers,
104,
663-673.
PubMed id:
DOI:
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Date:
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11-Dec-14
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Release date:
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29-Jul-15
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PROCHECK
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Headers
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References
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P53350
(PLK1_HUMAN) -
Serine/threonine-protein kinase PLK1 from Homo sapiens
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Seq:
Struc:
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603 a.a.
217 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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Enzyme class:
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E.C.2.7.11.21
- polo kinase.
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Reaction:
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1.
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L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H+
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2.
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L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H+
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L-seryl-[protein]
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+
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ATP
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=
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O-phospho-L-seryl-[protein]
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+
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ADP
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+
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H(+)
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L-threonyl-[protein]
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+
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ATP
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=
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O-phospho-L-threonyl-[protein]
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+
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ADP
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+
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H(+)
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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DOI no:
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Biopolymers
104:663-673
(2015)
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PubMed id:
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Neighbor-directed histidine N (τ)-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
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W.J.Qian,
J.E.Park,
R.Grant,
C.C.Lai,
J.A.Kelley,
M.B.Yaffe,
K.S.Lee,
T.R.Burke.
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ABSTRACT
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Our recently discovered, selective, on-resin route to N(τ)-alkylated
imidazolium-containing histidine residues affords new strategies for peptide
mimetic design. In this, we demonstrate the use of this chemistry to prepare a
series of macrocyclic phosphopeptides, in which imidazolium groups serve as
ring-forming junctions. Interestingly, these cationic moieties subsequently
serve to charge-mask the phosphoamino acid group that directed their formation.
Neighbor-directed histidine N(τ)-alkylation opens the door to new families of
phosphopeptidomimetics for use in a range of chemical biology contexts. © 2015
Wiley Periodicals, Inc. Biopolymers (Pept Sci) 104: 663-673, 2015.
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Links
