 |
PDBsum entry 2bhh
|
|
|
|
|
 |
Contents |
 |
|
|
|
|
|
|
|
|
|
|
|
|
* Residue conservation analysis
|
|
|
|
|
|
PDB id:
|
|
|
|
| Name: |
|
Transferase
|
|
|
Title:
|
|
Human cyclin dependent protein kinase 2 in complex with the inhibitor 4-hydroxypiperindinesulfonyl-indirubine
|
|
Structure:
|
|
Cell division protein kinase 2. Chain: a. Synonym: cyclin dependent kinase 2, p33 protein kinase. Engineered: yes
|
|
Source:
|
|
Homo sapiens. Human. Organism_taxid: 9606. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108
|
|
Resolution:
|
|
|
2.60Å
|
R-factor:
|
0.244
|
R-free:
|
0.325
|
|
|
Authors:
|
|
M.Schaefer,R.Jautelat,T.Brumby,H.Briem,G.Eisenbrand,S.Schwahn, M.Krueger,U.Luecking,O.Prien,G.Siemeister
|
|
Key ref:
|
|
R.Jautelat
et al.
(2005).
From the insoluble dye indirubin towards highly active, soluble CDK2-inhibitors.
Chembiochem,
6,
531-540.
PubMed id:
DOI:
|
|
|
Date:
|
|
|
11-Jan-05
|
Release date:
|
09-Mar-05
|
|
|
|
|
|
|
PROCHECK
|
|
|
|
|
|
Headers
|
|
|
|
References
|
|
|
|
|
|
|
|
P24941
(CDK2_HUMAN) -
Cyclin-dependent kinase 2 from Homo sapiens
|
|
|
|
Seq:
Struc:
|
|
|
|
298 a.a.
274 a.a.
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Key: |
 |
PfamA domain |
|
|
 |
Secondary structure |
|
 |
CATH domain |
|
|
|
|
|
|
|
|
|
|
|
|
|
Enzyme class:
|
|
E.C.2.7.11.22
- cyclin-dependent 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+
|
|
|
|
|
|
|
L-seryl-[protein]
|
+
|
ATP
|
=
|
O-phospho-L-seryl-[protein]
|
+
|
ADP
|
+
|
H(+)
|
|
|
|
|
|
|
L-threonyl-[protein]
|
+
|
ATP
|
=
|
O-phospho-L-threonyl-[protein]
|
+
|
ADP
|
+
|
H(+)
|
|
|
|
|
|
|
|
|
|
|
|
|
Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
| |
|
|
| |
|
DOI no:
|
Chembiochem
6:531-540
(2005)
|
|
PubMed id:
|
|
|
|
|
|
| |
|
From the insoluble dye indirubin towards highly active, soluble CDK2-inhibitors.
|
|
R.Jautelat,
T.Brumby,
M.Schäfer,
H.Briem,
G.Eisenbrand,
S.Schwahn,
M.Krüger,
U.Lücking,
O.Prien,
G.Siemeister.
|
|
|
|
|
| |
ABSTRACT
|
|
|
|
| |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
 |
 |
|
Literature references that cite this PDB file's key reference
|
|
|
| |
PubMed id
|
|
Reference
|
|
|
|
|
|
G.Karapetyan,
K.Chakrabarty,
M.Hein,
and
P.Langer
(2011).
Synthesis and bioactivity of carbohydrate derivatives of indigo, its isomers and heteroanalogues.
|
| |
ChemMedChem,
6,
25-37.
|
|
|
|
|
|
|
J.M.Hayes,
V.T.Skamnaki,
G.Archontis,
C.Lamprakis,
J.Sarrou,
N.Bischler,
A.L.Skaltsounis,
S.E.Zographos,
and
N.G.Oikonomakos
(2011).
Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: The role of water molecules examined.
|
| |
Proteins,
79,
703-719.
|
|
|
|
|
|
|
M.Habermeyer,
S.Guth,
and
G.Eisenbrand
(2008).
25 years food chemistry and toxicology at the University of Kaiserslautern.
|
| |
Mol Nutr Food Res,
52,
810-814.
|
|
|
|
|
|
|
B.Zhang,
V.B.Tan,
K.M.Lim,
T.E.Tay,
and
S.Zhuang
(2007).
Study of the inhibition of cyclin-dependent kinases with roscovitine and indirubin-3'-oxime from molecular dynamics simulations.
|
| |
J Mol Model,
13,
79-89.
|
|
|
|
|
|
|
M.P.Mazanetz,
and
P.M.Fischer
(2007).
Untangling tau hyperphosphorylation in drug design for neurodegenerative diseases.
|
| |
Nat Rev Drug Discov,
6,
464-479.
|
|
|
|
|
|
|
Y.Zhen,
V.Sørensen,
Y.Jin,
Z.Suo,
and
A.Wiedłocha
(2007).
Indirubin-3'-monoxime inhibits autophosphorylation of FGFR1 and stimulates ERK1/2 activity via p38 MAPK.
|
| |
Oncogene,
26,
6372-6385.
|
|
|
|
|
|
|
G.Eisenbrand,
and
G.Eisenbrand
(2006).
Our senior editors. Gerhard Eisenbrand: food chemistry and environmental toxicology.
|
| |
Biotechnol J,
1,
135-136.
|
|
|
|
|
|
|
G.Sethi,
K.S.Ahn,
S.K.Sandur,
X.Lin,
M.M.Chaturvedi,
and
B.B.Aggarwal
(2006).
Indirubin enhances tumor necrosis factor-induced apoptosis through modulation of nuclear factor-kappa B signaling pathway.
|
| |
J Biol Chem,
281,
23425-23435.
|
|
|
|
|
|
|
J.Ribas,
K.Bettayeb,
Y.Ferandin,
M.Knockaert,
X.Garrofé-Ochoa,
F.Totzke,
C.Schächtele,
J.Mester,
P.Polychronopoulos,
P.Magiatis,
A.L.Skaltsounis,
J.Boix,
and
L.Meijer
(2006).
7-Bromoindirubin-3'-oxime induces caspase-independent cell death.
|
| |
Oncogene,
25,
6304-6318.
|
|
|
|
|
|
|
J.Bradbury
(2005).
From Chinese medicine to anticancer drugs.
|
| |
Drug Discov Today,
10,
1131-1132.
|
|
|
|
|
|
The most recent references are shown first.
Citation data come partly from CiteXplore and partly
from an automated harvesting procedure. Note that this is likely to be
only a partial list as not all journals are covered by
either method. However, we are continually building up the citation data
so more and more references will be included with time.
|
|
Links
