PDBsum entry 5a4e

Transferase

PDB id: 5a4e

Contents

Protein chains

342 a.a.

323 a.a.

263 a.a.

Ligands

7QQ ×4

Waters ×90

PDB id:

5a4e

Name:

Transferase

Title:

Dyrk1a in complex with methoxy benzothiazole fragment

Structure:

Dual specificity tyrosine-phosphorylation-regulated kinase 1a. Chain: a, b, c, d. Fragment: residues 126-490. Synonym: dual specificity yak1-related kinase, hp86, protein kinase minibrain homolog, mnbh, hmnb. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 469008. Expression_system_variant: ril

Resolution:

2.68Å R-factor: 0.237 R-free: 0.268

Authors:

U.Rothweiler

Key ref:

U.Rothweiler et al. (2016). Probing the ATP-Binding Pocket of Protein Kinase DYRK1A with Benzothiazole Fragment Molecules. J Med Chem, 59, 9814-9824. PubMed id: 27736065 DOI: 10.1021/acs.jmedchem.6b01086

Date:

08-Jun-15 Release date: 29-Jun-16

Protein chains

Q13627  (DYR1A_HUMAN) -  Dual specificity tyrosine-phosphorylation-regulated kinase 1A from Homo sapiens

Seq: 763 a.a.

Struc: 342 a.a.

Protein chain

Q13627  (DYR1A_HUMAN) -  Dual specificity tyrosine-phosphorylation-regulated kinase 1A from Homo sapiens

Seq: 763 a.a.

Struc: 323 a.a.

Protein chain

Q13627  (DYR1A_HUMAN) -  Dual specificity tyrosine-phosphorylation-regulated kinase 1A from Homo sapiens

Seq: 763 a.a.

Struc: 263 a.a.*

* PDB and UniProt seqs differ at 19 residue positions (black crosses)

Enzyme reactions

• Enzyme class 2: Chains A, B, C, D: E.C.2.7.11.23 - [RNA-polymerase]-subunit kinase.
• Reaction: [DNA-directed RNA polymerase] + ATP = phospho-[DNA-directed RNA polymerase] + ADP + H⁺
• Enzyme class 3: Chains A, B, C, D: 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⁺

Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.

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

reference

DOI no: 10.1021/acs.jmedchem.6b01086

J Med Chem 59:9814-9824 (2016)

PubMed id: 27736065

Probing the ATP-Binding Pocket of Protein Kinase DYRK1A with Benzothiazole Fragment Molecules.

U.Rothweiler, W.Stensen, B.O.Brandsdal, J.Isaksson, F.A.Leeson, R.A.Engh, J.S.Svendsen.

ABSTRACT

No abstract given.