PDBsum entry 5j1v

Transferase

PDB id: 5j1v

Contents

Protein chains

338 a.a.

314 a.a.

Ligands

6FD ×3

GOL ×2

Waters ×95

PDB id:

5j1v

Name:

Transferase

Title:

Crystal structure of human clk1 in complex with pyrido[3,4- g]quinazoline derivative zw29 (compound 13)

Structure:

Dual specificity protein kinase clk1. Chain: a, b, c. Fragment: unp residues 148-484. Synonym: cdc-like kinase 1. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: clk1, clk. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008. Expression_system_variant: r3-prare2.

Resolution:

2.52Å R-factor: 0.201 R-free: 0.244

Authors:

A.Chaikuad,Y.J.Esvan,W.Zeinyeh,T.Boibessot,L.Nauton,V.Thery,N.Loaec, L.Meijer,F.Giraud,P.Moreau,F.Anizon,F.Von Delft,C.Bountra, C.H.Arrowsmith,A.M.Edwards,S.Knapp,Structural Genomics Consortium (Sgc)

Key ref:

Y.J.Esvan et al. (2016). Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure. Eur J Med Chem, 118, 170-177. PubMed id: 27128181 DOI: 10.1016/j.ejmech.2016.04.004

Date:

29-Mar-16 Release date: 04-May-16

Protein chains

P49759  (CLK1_HUMAN) -  Dual specificity protein kinase CLK1 from Homo sapiens

Seq: 484 a.a.

Struc: 338 a.a.*

Protein chain

P49759  (CLK1_HUMAN) -  Dual specificity protein kinase CLK1 from Homo sapiens

Seq: 484 a.a.

Struc: 314 a.a.*

* PDB and UniProt seqs differ at 5 residue positions (black crosses)

Enzyme reactions

• Enzyme class: Chains A, B, C: E.C.2.7.12.1 - dual-specificity kinase.
• Reaction:
  1. L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H⁺
  2. L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H⁺
  3. L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H⁺

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

DOI no: 10.1016/j.ejmech.2016.04.004

Eur J Med Chem 118:170-177 (2016)

PubMed id: 27128181

Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.

Y.J.Esvan, W.Zeinyeh, T.Boibessot, L.Nauton, V.Théry, S.Knapp, A.Chaikuad, N.Loaëc, L.Meijer, F.Anizon, F.Giraud, P.Moreau.

ABSTRACT

No abstract given.