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Chlorine in PDB 5imx: Anaplastic Lymphoma Kinase (Alk) Catalytic Domain Complexed with Novel Inhibitor 3-Sulfonylpyrazol-4-Amino Pyrimidine

Enzymatic activity of Anaplastic Lymphoma Kinase (Alk) Catalytic Domain Complexed with Novel Inhibitor 3-Sulfonylpyrazol-4-Amino Pyrimidine

All present enzymatic activity of Anaplastic Lymphoma Kinase (Alk) Catalytic Domain Complexed with Novel Inhibitor 3-Sulfonylpyrazol-4-Amino Pyrimidine:
2.7.10.1;

Protein crystallography data

The structure of Anaplastic Lymphoma Kinase (Alk) Catalytic Domain Complexed with Novel Inhibitor 3-Sulfonylpyrazol-4-Amino Pyrimidine, PDB code: 5imx was solved by C.Wang, P.Zhang, J.Dong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.34 / 2.12
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.698, 56.759, 104.556, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 25.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Anaplastic Lymphoma Kinase (Alk) Catalytic Domain Complexed with Novel Inhibitor 3-Sulfonylpyrazol-4-Amino Pyrimidine (pdb code 5imx). 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 Anaplastic Lymphoma Kinase (Alk) Catalytic Domain Complexed with Novel Inhibitor 3-Sulfonylpyrazol-4-Amino Pyrimidine, PDB code: 5imx:

Chlorine binding site 1 out of 1 in 5imx

Go back to Chlorine Binding Sites List in 5imx
Chlorine binding site 1 out of 1 in the Anaplastic Lymphoma Kinase (Alk) Catalytic Domain Complexed with Novel Inhibitor 3-Sulfonylpyrazol-4-Amino Pyrimidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Anaplastic Lymphoma Kinase (Alk) Catalytic Domain Complexed with Novel Inhibitor 3-Sulfonylpyrazol-4-Amino Pyrimidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1501

b:42.1
occ:1.00
 CL1 A:CZ41501 0.0 42.1 1.0
C16 A:CZ41501 1.8 37.5 1.0
C15 A:CZ41501 2.7 39.3 1.0
C17 A:CZ41501 2.8 38.1 1.0
N19 A:CZ41501 3.1 42.8 1.0
CD1 A:LEU1196 3.3 42.2 1.0
CB A:LEU1196 3.7 43.0 1.0
O37 A:CZ41501 3.9 48.4 1.0
CD1 A:LEU1256 3.9 43.3 1.0
N14 A:CZ41501 4.0 42.0 1.0
N18 A:CZ41501 4.0 37.0 1.0
CG A:LEU1196 4.1 40.4 1.0
O A:GLY1269 4.1 42.6 1.0
CB A:ALA1148 4.3 45.1 1.0
CG1 A:VAL1180 4.3 37.3 1.0
O A:GLU1197 4.3 39.5 1.0
C20 A:CZ41501 4.4 45.5 1.0
C13 A:CZ41501 4.5 38.3 1.0

Reference:

P.Zhang, J.Dong, B.Zhong, D.Zhang, H.Yuan, C.Jin, X.Xu, H.Li, Y.Zhou, Z.Liang, M.Ji, T.Xu, G.Song, L.Zhang, G.Chen, X.Meng, D.Sun, J.Shih, R.Zhang, G.Hou, C.Wang, Y.Jin, Q.Yang. Design and Synthesis of Novel 3-Sulfonylpyrazol-4-Amino Pyrimidines As Potent Anaplastic Lymphoma Kinase (Alk) Inhibitors. Bioorg.Med.Chem.Lett. V. 26 1910 2016.
ISSN: ESSN 1464-3405
PubMed: 26979157
DOI: 10.1016/J.BMCL.2016.03.017
Page generated: Sat Dec 12 11:51:03 2020

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