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Fluorine in PDB 2j51: Crystal Structure of Human STE20-Like Kinase Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide
Enzymatic activity of Crystal Structure of Human STE20-Like Kinase Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide
All present enzymatic activity of Crystal Structure of Human STE20-Like Kinase Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide:
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of Crystal Structure of Human STE20-Like Kinase Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide, PDB code: 2j51
was solved by
A.C.W.Pike,
P.Rellos,
O.Fedorov,
T.Keates,
E.Salah,
P.Savitsky,
E.Papagrigoriou,
A.P.Turnbull,
J.E.Debreczeni,
F.Von Delft,
C.Arrowsmith,
A.Edwards,
J.Weigelt,
M.Sundstrom,
S.Knapp,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 60.00 / 2.1 |
| Space group | P 61 2 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 101.195, 101.195, 177.173, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 20.1 / 23.3 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Human STE20-Like Kinase Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide
(pdb code 2j51). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human STE20-Like Kinase Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide, PDB code: 2j51:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human STE20-Like Kinase Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide, PDB code: 2j51:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 2j51
Go back to
Fluorine Binding Sites List in 2j51
Fluorine binding site 1 out
of 2 in the Crystal Structure of Human STE20-Like Kinase Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of Human STE20-Like Kinase Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 2j51
Go back to
Fluorine Binding Sites List in 2j51
Fluorine binding site 2 out
of 2 in the Crystal Structure of Human STE20-Like Kinase Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of Human STE20-Like Kinase Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide within 5.0Å range:
|
Reference:
A.C.W.Pike,
P.Rellos,
F.H.Niesen,
A.Turnbull,
A.W.Oliver,
S.A.Parker,
B.E.Turk,
L.H.Pearl,
S.Knapp.
Activation Segment Dimerization: A Mechanism For Kinase Autophosphorylation of Non-Consensus Sites. Embo J. V. 27 704 2008.
ISSN: ISSN 0261-4189
PubMed: 18239682
DOI: 10.1038/EMBOJ.2008.8
Page generated: Mon Jul 14 13:34:12 2025
ISSN: ISSN 0261-4189
PubMed: 18239682
DOI: 10.1038/EMBOJ.2008.8
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