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Atomistry » Iodine » PDB 3usl-3zzz » 3vqu | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Iodine » PDB 3usl-3zzz » 3vqu » |
Iodine in PDB 3vqu: Crystal Structure of Human MPS1 Catalytic Domain in Complex with 4- [(4-Amino-5-Cyano-6-Ethoxypyridin-2- Yl)Amino]BenzamideEnzymatic activity of Crystal Structure of Human MPS1 Catalytic Domain in Complex with 4- [(4-Amino-5-Cyano-6-Ethoxypyridin-2- Yl)Amino]Benzamide
All present enzymatic activity of Crystal Structure of Human MPS1 Catalytic Domain in Complex with 4- [(4-Amino-5-Cyano-6-Ethoxypyridin-2- Yl)Amino]Benzamide:
2.7.12.1; Protein crystallography data
The structure of Crystal Structure of Human MPS1 Catalytic Domain in Complex with 4- [(4-Amino-5-Cyano-6-Ethoxypyridin-2- Yl)Amino]Benzamide, PDB code: 3vqu
was solved by
K.Kusakabe,
N.Ide,
Y.Daigo,
T.Itoh,
K.Higashino,
Y.Okano,
G.Tadano,
Y.Tachibana,
Y.Sato,
M.Inoue,
T.Wada,
M.Iguchi,
T.Kanazawa,
Y.Ishioka,
K.Dohi,
S.Tagashira,
Y.Kido,
S.Sakamoto,
K.Yasuo,
M.Maeda,
T.Yamamoto,
M.Higaki,
T.Endoh,
K.Ueda,
T.Shiota,
H.Murai,
Y.Nakamura,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Iodine Binding Sites:
The binding sites of Iodine atom in the Crystal Structure of Human MPS1 Catalytic Domain in Complex with 4- [(4-Amino-5-Cyano-6-Ethoxypyridin-2- Yl)Amino]Benzamide
(pdb code 3vqu). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Crystal Structure of Human MPS1 Catalytic Domain in Complex with 4- [(4-Amino-5-Cyano-6-Ethoxypyridin-2- Yl)Amino]Benzamide, PDB code: 3vqu: Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; Iodine binding site 1 out of 8 in 3vquGo back to![]() ![]()
Iodine binding site 1 out
of 8 in the Crystal Structure of Human MPS1 Catalytic Domain in Complex with 4- [(4-Amino-5-Cyano-6-Ethoxypyridin-2- Yl)Amino]Benzamide
![]() Mono view ![]() Stereo pair view
Iodine binding site 2 out of 8 in 3vquGo back to![]() ![]()
Iodine binding site 2 out
of 8 in the Crystal Structure of Human MPS1 Catalytic Domain in Complex with 4- [(4-Amino-5-Cyano-6-Ethoxypyridin-2- Yl)Amino]Benzamide
![]() Mono view ![]() Stereo pair view
Iodine binding site 3 out of 8 in 3vquGo back to![]() ![]()
Iodine binding site 3 out
of 8 in the Crystal Structure of Human MPS1 Catalytic Domain in Complex with 4- [(4-Amino-5-Cyano-6-Ethoxypyridin-2- Yl)Amino]Benzamide
![]() Mono view ![]() Stereo pair view
Iodine binding site 4 out of 8 in 3vquGo back to![]() ![]()
Iodine binding site 4 out
of 8 in the Crystal Structure of Human MPS1 Catalytic Domain in Complex with 4- [(4-Amino-5-Cyano-6-Ethoxypyridin-2- Yl)Amino]Benzamide
![]() Mono view ![]() Stereo pair view
Iodine binding site 5 out of 8 in 3vquGo back to![]() ![]()
Iodine binding site 5 out
of 8 in the Crystal Structure of Human MPS1 Catalytic Domain in Complex with 4- [(4-Amino-5-Cyano-6-Ethoxypyridin-2- Yl)Amino]Benzamide
![]() Mono view ![]() Stereo pair view
Iodine binding site 6 out of 8 in 3vquGo back to![]() ![]()
Iodine binding site 6 out
of 8 in the Crystal Structure of Human MPS1 Catalytic Domain in Complex with 4- [(4-Amino-5-Cyano-6-Ethoxypyridin-2- Yl)Amino]Benzamide
![]() Mono view ![]() Stereo pair view
Iodine binding site 7 out of 8 in 3vquGo back to![]() ![]()
Iodine binding site 7 out
of 8 in the Crystal Structure of Human MPS1 Catalytic Domain in Complex with 4- [(4-Amino-5-Cyano-6-Ethoxypyridin-2- Yl)Amino]Benzamide
![]() Mono view ![]() Stereo pair view
Iodine binding site 8 out of 8 in 3vquGo back to![]() ![]()
Iodine binding site 8 out
of 8 in the Crystal Structure of Human MPS1 Catalytic Domain in Complex with 4- [(4-Amino-5-Cyano-6-Ethoxypyridin-2- Yl)Amino]Benzamide
![]() Mono view ![]() Stereo pair view
Reference:
K.Kusakabe,
N.Ide,
Y.Daigo,
T.Itoh,
K.Higashino,
Y.Okano,
G.Tadano,
Y.Tachibana,
Y.Sato,
M.Inoue,
T.Wada,
M.Iguchi,
T.Kanazawa,
Y.Ishioka,
K.Dohi,
S.Tagashira,
Y.Kido,
S.Sakamoto,
K.Yasuo,
M.Maeda,
T.Yamamoto,
M.Higaki,
T.Endoh,
K.Ueda,
T.Shiota,
H.Murai,
Y.Nakamura.
Diaminopyridine-Based Potent and Selective MPS1 Kinase Inhibitors Binding to An Unusual Flipped-Peptide Conformation. Acs Med.Chem.Lett. V. 3 560 2012.
Page generated: Sun Aug 11 17:04:27 2024
ISSN: ISSN 1948-5875 PubMed: 24900510 DOI: 10.1021/ML3000879 |
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