 |
PDBsum entry 7n4s
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Transferase/transferase inhibitor
|
PDB id
|
|
|
|
7n4s
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
PDB id:
|
|
|
|
| Name: |
|
Transferase/transferase inhibitor
|
|
|
Title:
|
|
Bruton's tyrosine kinase in complex with compound 65
|
|
Structure:
|
|
Tyrosine-protein kinase btk. Chain: a. Fragment: kinase domain. Synonym: agammaglobulinemia tyrosine kinase,atk,b-cell progenitor kinase,bpk,bruton tyrosine kinase. Engineered: yes
|
|
Source:
|
|
Homo sapiens. Human. Organism_taxid: 9606. Gene: btk, agmx1, atk, bpk. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108
|
|
Resolution:
|
|
|
2.05Å
|
R-factor:
|
0.245
|
R-free:
|
0.276
|
|
|
Authors:
|
|
C.M.Metrick,D.J.Marcotte
|
|
Key ref:
|
|
B.T.Hopkins
et al.
(2021).
Utilizing structure based drug design and metabolic s spot identification to optimize the in vitro potency vivo pharmacokinetic properties leading to the discov novel reversible bruton'S tyrosine kinase inhibitors..
Bioorg med chem,
44,
16275.
PubMed id:
|
|
|
Date:
|
|
|
04-Jun-21
|
Release date:
|
18-May-22
|
|
|
|
|
|
|
PROCHECK
|
|
|
|
|
|
Headers
|
|
|
|
References
|
|
|
|
|
|
|
|
Q06187
(BTK_HUMAN) -
Tyrosine-protein kinase BTK from Homo sapiens
|
|
|
|
Seq:
Struc:
|
|
|
|
659 a.a.
257 a.a.
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Key: |
 |
PfamA domain |
|
|
 |
Secondary structure |
|
|
|
|
|
|
|
|
|
|
|
|
|
Enzyme class:
|
|
E.C.2.7.10.2
- non-specific protein-tyrosine kinase.
|
|
|
|
|
|
|
Reaction:
|
|
L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H+
|
|
|
|
|
|
L-tyrosyl-[protein]
|
+
|
ATP
|
=
|
O-phospho-L-tyrosyl-[protein]
|
+
|
ADP
|
+
|
H(+)
|
|
|
|
|
|
|
|
|
|
|
|
|
Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
|
|
|
|
Links
