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Fluorine in PDB 3hmi: The Crystal Structure of Human ABL2 in Complex with 5-Amino-3-{[4- (Aminosulfonyl)Phenyl]Amino}-N-(2,6-Difluorophenyl)-1H-1,2,4- Triazole-1-Carbothioamide
Enzymatic activity of The Crystal Structure of Human ABL2 in Complex with 5-Amino-3-{[4- (Aminosulfonyl)Phenyl]Amino}-N-(2,6-Difluorophenyl)-1H-1,2,4- Triazole-1-Carbothioamide
All present enzymatic activity of The Crystal Structure of Human ABL2 in Complex with 5-Amino-3-{[4- (Aminosulfonyl)Phenyl]Amino}-N-(2,6-Difluorophenyl)-1H-1,2,4- Triazole-1-Carbothioamide:
2.7.10.2;
2.7.10.2;
Protein crystallography data
The structure of The Crystal Structure of Human ABL2 in Complex with 5-Amino-3-{[4- (Aminosulfonyl)Phenyl]Amino}-N-(2,6-Difluorophenyl)-1H-1,2,4- Triazole-1-Carbothioamide, PDB code: 3hmi
was solved by
E.Ugochukwu,
E.Salah,
A.Barr,
P.Mahajan,
B.Shrestha,
P.Savitsky,
A.Chaikuad,
C.Allerston,
F.Von Delft,
C.Bountra,
C.H.Arrowsmith,
J.Weigelt,
A.Edwards,
S.Knapp,
Structural Genomics Consortium (Sgc),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 39.72 / 1.65 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 165.920, 39.800, 43.130, 90.00, 95.69, 90.00 |
| R / Rfree (%) | 18.8 / 23.4 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the The Crystal Structure of Human ABL2 in Complex with 5-Amino-3-{[4- (Aminosulfonyl)Phenyl]Amino}-N-(2,6-Difluorophenyl)-1H-1,2,4- Triazole-1-Carbothioamide
(pdb code 3hmi). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the The Crystal Structure of Human ABL2 in Complex with 5-Amino-3-{[4- (Aminosulfonyl)Phenyl]Amino}-N-(2,6-Difluorophenyl)-1H-1,2,4- Triazole-1-Carbothioamide, PDB code: 3hmi:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the The Crystal Structure of Human ABL2 in Complex with 5-Amino-3-{[4- (Aminosulfonyl)Phenyl]Amino}-N-(2,6-Difluorophenyl)-1H-1,2,4- Triazole-1-Carbothioamide, PDB code: 3hmi:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 3hmi
Go back to
Fluorine Binding Sites List in 3hmi
Fluorine binding site 1 out
of 2 in the The Crystal Structure of Human ABL2 in Complex with 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 The Crystal Structure of Human ABL2 in Complex with 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 3hmi
Go back to
Fluorine Binding Sites List in 3hmi
Fluorine binding site 2 out
of 2 in the The Crystal Structure of Human ABL2 in Complex with 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 The Crystal Structure of Human ABL2 in Complex with 5-Amino-3-{[4- (Aminosulfonyl)Phenyl]Amino}-N-(2,6-Difluorophenyl)-1H-1,2,4- Triazole-1-Carbothioamide within 5.0Å range:
|
Reference:
E.Ugochukwu,
E.Salah,
A.Barr,
P.Mahajan,
B.Shrestha,
P.Savitsky,
A.Chaikuad,
C.Allerston,
F.Von Delft,
S.Knapp.
The Crystal Structure of Human ABL2 in Complex with 5-Amino-3-{[4-(Aminosulfonyl)Phenyl]Amino}-N-(2, 6-Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide To Be Published.
Page generated: Sun Dec 13 11:47:57 2020
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