Chlorine in PDB 8gc7: Bruton'S Tyrosine Kinase in Complex with 5-(Piperidin-1-Yl)-3-{[4- (Piperidin-4-Yl)Phenyl]Amino}Pyrazine-2-Carboxamide

Enzymatic activity of Bruton'S Tyrosine Kinase in Complex with 5-(Piperidin-1-Yl)-3-{[4- (Piperidin-4-Yl)Phenyl]Amino}Pyrazine-2-Carboxamide

All present enzymatic activity of Bruton'S Tyrosine Kinase in Complex with 5-(Piperidin-1-Yl)-3-{[4- (Piperidin-4-Yl)Phenyl]Amino}Pyrazine-2-Carboxamide:
2.7.10.2;

Protein crystallography data

The structure of Bruton'S Tyrosine Kinase in Complex with 5-(Piperidin-1-Yl)-3-{[4- (Piperidin-4-Yl)Phenyl]Amino}Pyrazine-2-Carboxamide, PDB code: 8gc7 was solved by S.Gajewski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.61 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.993, 76.032, 105.12, 90, 90, 90
R / Rfree (%) 19.2 / 22.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Bruton'S Tyrosine Kinase in Complex with 5-(Piperidin-1-Yl)-3-{[4- (Piperidin-4-Yl)Phenyl]Amino}Pyrazine-2-Carboxamide (pdb code 8gc7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Bruton'S Tyrosine Kinase in Complex with 5-(Piperidin-1-Yl)-3-{[4- (Piperidin-4-Yl)Phenyl]Amino}Pyrazine-2-Carboxamide, PDB code: 8gc7:

Chlorine binding site 1 out of 1 in 8gc7

Go back to Chlorine Binding Sites List in 8gc7
Chlorine binding site 1 out of 1 in the Bruton'S Tyrosine Kinase in Complex with 5-(Piperidin-1-Yl)-3-{[4- (Piperidin-4-Yl)Phenyl]Amino}Pyrazine-2-Carboxamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bruton'S Tyrosine Kinase in Complex with 5-(Piperidin-1-Yl)-3-{[4- (Piperidin-4-Yl)Phenyl]Amino}Pyrazine-2-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl704

b:22.1
occ:1.00
 O A:HOH975 3.3 13.0 1.0
O A:HOH1019 3.3 17.7 1.0
O A:HOH981 3.5 19.3 1.0
CE2 A:PHE601 4.2 17.9 1.0
CD1 A:TYR598 4.3 9.6 1.0
CA A:TYR598 4.3 9.3 1.0
CD2 A:LEU614 4.4 7.9 1.0
CD2 A:TYR617 4.5 21.2 1.0
CD2 A:LEU616 4.6 8.5 1.0
O A:ARG615 4.6 8.4 1.0
CE2 A:TYR617 4.6 21.4 1.0
CD2 A:PHE601 4.7 15.0 1.0
CA A:LEU616 4.8 8.9 1.0
N A:TYR598 4.8 9.4 1.0
CB A:TYR598 4.9 8.2 1.0
N A:TYR617 4.9 7.5 1.0
CE1 A:TYR598 5.0 9.4 1.0
CG A:TYR598 5.0 10.8 1.0

Reference:

S.Gajewski, S.Gajewski. N/A N/A.
ISSN: ESSN 1095-9203
DOI: 10.1126/SCIENCE.ADI5798
Page generated: Tue Jul 30 09:56:19 2024

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