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Chlorine in PDB 8fe9: Crystal Structure of ACK1 Kinase K161Q Mutant in Complex with the Selective Inhibitor (R)-9B

Enzymatic activity of Crystal Structure of ACK1 Kinase K161Q Mutant in Complex with the Selective Inhibitor (R)-9B

All present enzymatic activity of Crystal Structure of ACK1 Kinase K161Q Mutant in Complex with the Selective Inhibitor (R)-9B:
2.7.10.2; 2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of ACK1 Kinase K161Q Mutant in Complex with the Selective Inhibitor (R)-9B, PDB code: 8fe9 was solved by Y.Paung, Y.Kan, M.S.Seeliger, W.T.Miller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.99 / 3.20
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 91.69, 91.69, 190.066, 90, 90, 90
R / Rfree (%) 20.1 / 25.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of ACK1 Kinase K161Q Mutant in Complex with the Selective Inhibitor (R)-9B (pdb code 8fe9). 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 ACK1 Kinase K161Q Mutant in Complex with the Selective Inhibitor (R)-9B, PDB code: 8fe9:

Chlorine binding site 1 out of 1 in 8fe9

Go back to Chlorine Binding Sites List in 8fe9
Chlorine binding site 1 out of 1 in the Crystal Structure of ACK1 Kinase K161Q Mutant in Complex with the Selective Inhibitor (R)-9B


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 ACK1 Kinase K161Q Mutant in Complex with the Selective Inhibitor (R)-9B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:236.5
occ:1.00
CL5 A:R9B401 0.0 236.5 1.0
C3 A:R9B401 1.8 223.2 1.0
C4 A:R9B401 2.7 222.6 1.0
C2 A:R9B401 2.7 217.9 1.0
C1 A:R9B401 4.0 220.0 1.0
C6 A:R9B401 4.0 211.1 1.0
CB A:ASP215 4.1 130.8 1.0
C7 A:R9B401 4.5 216.6 1.0
OD2 A:ASP215 4.8 149.5 1.0
CG A:ASP215 4.8 140.0 1.0
C35 A:R9B401 4.9 171.4 1.0

Reference:

Y.Kan, Y.Paung, Y.Kim, M.A.Seeliger, W.T.Miller. Biochemical Studies of Systemic Lupus Erythematosus-Associated Mutations in Nonreceptor Tyrosine Kinases ACK1 and Brk. Biochemistry V. 62 1124 2023.
ISSN: ISSN 0006-2960
PubMed: 36854171
DOI: 10.1021/ACS.BIOCHEM.2C00685
Page generated: Sun Jul 13 11:21:51 2025

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