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Chlorine in PDB 4fny: Crystal Structure of the R1275Q Anaplastic Lymphoma Kinase Catalytic Domain in Complex with A Benzoxazole Inhibitor

Enzymatic activity of Crystal Structure of the R1275Q Anaplastic Lymphoma Kinase Catalytic Domain in Complex with A Benzoxazole Inhibitor

All present enzymatic activity of Crystal Structure of the R1275Q Anaplastic Lymphoma Kinase Catalytic Domain in Complex with A Benzoxazole Inhibitor:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of the R1275Q Anaplastic Lymphoma Kinase Catalytic Domain in Complex with A Benzoxazole Inhibitor, PDB code: 4fny was solved by D.A.Whittington, L.F.Epstein, H.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.45
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.454, 56.492, 102.060, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 25.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the R1275Q Anaplastic Lymphoma Kinase Catalytic Domain in Complex with A Benzoxazole Inhibitor (pdb code 4fny). 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 Crystal Structure of the R1275Q Anaplastic Lymphoma Kinase Catalytic Domain in Complex with A Benzoxazole Inhibitor, PDB code: 4fny:

Chlorine binding site 1 out of 1 in 4fny

Go back to Chlorine Binding Sites List in 4fny
Chlorine binding site 1 out of 1 in the Crystal Structure of the R1275Q Anaplastic Lymphoma Kinase Catalytic Domain in Complex with A Benzoxazole Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the R1275Q Anaplastic Lymphoma Kinase Catalytic Domain in Complex with A Benzoxazole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1501

b:24.9
occ:1.00
 CL3 A:I3K1501 0.0 24.9 1.0
C29 A:I3K1501 1.7 24.5 1.0
C28 A:I3K1501 2.7 23.6 1.0
C30 A:I3K1501 2.7 24.9 1.0
CD2 A:HIS1247 3.8 21.1 1.0
C27 A:I3K1501 4.0 25.4 1.0
CE2 A:PHE1245 4.0 16.3 1.0
CE2 A:PHE1174 4.0 25.8 1.0
C31 A:I3K1501 4.0 24.6 1.0
CD2 A:LEU1240 4.0 15.3 1.0
CG2 A:ILE1179 4.1 16.7 1.0
CD1 A:LEU1240 4.2 15.1 1.0
CG2 A:ILE1268 4.2 17.8 1.0
NE2 A:HIS1247 4.4 21.4 1.0
CD2 A:PHE1174 4.4 27.4 1.0
C26 A:I3K1501 4.5 24.6 1.0
CZ A:PHE1245 4.5 16.1 1.0
CD2 A:PHE1245 4.6 16.2 1.0
CG A:LEU1240 4.7 16.4 1.0
O A:ILE1268 4.8 18.1 1.0
CB A:ILE1268 4.8 17.4 1.0
CG1 A:ILE1179 4.9 18.1 1.0
CG A:HIS1247 4.9 20.5 1.0
CZ A:PHE1174 5.0 25.7 1.0

Reference:

L.F.Epstein, H.Chen, R.Emkey, D.A.Whittington. The R1275Q Neuroblastoma Mutant and Certain Atp-Competitive Inhibitors Stabilize Alternative Activation Loop Conformations of Anaplastic Lymphoma Kinase. J.Biol.Chem. V. 287 37447 2012.
ISSN: ISSN 0021-9258
PubMed: 22932897
DOI: 10.1074/JBC.M112.391425
Page generated: Sun Jul 21 13:54:27 2024

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