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Chlorine in PDB 3cqw: Crystal Structure of Akt-1 Complexed with Substrate Peptide and Inhibitor

Enzymatic activity of Crystal Structure of Akt-1 Complexed with Substrate Peptide and Inhibitor

All present enzymatic activity of Crystal Structure of Akt-1 Complexed with Substrate Peptide and Inhibitor:
2.7.11.1; 2.7.11.26;

Protein crystallography data

The structure of Crystal Structure of Akt-1 Complexed with Substrate Peptide and Inhibitor, PDB code: 3cqw was solved by J.Pandit, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.36 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.505, 55.879, 92.864, 90.00, 102.36, 90.00
R / Rfree (%) 20 / 25.7

Other elements in 3cqw:

The structure of Crystal Structure of Akt-1 Complexed with Substrate Peptide and Inhibitor also contains other interesting chemical elements:

Manganese (Mn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Akt-1 Complexed with Substrate Peptide and Inhibitor (pdb code 3cqw). 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 Akt-1 Complexed with Substrate Peptide and Inhibitor, PDB code: 3cqw:

Chlorine binding site 1 out of 1 in 3cqw

Go back to Chlorine Binding Sites List in 3cqw
Chlorine binding site 1 out of 1 in the Crystal Structure of Akt-1 Complexed with Substrate Peptide and 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 Akt-1 Complexed with Substrate Peptide and Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl999

b:40.4
occ:1.00
CL1 A:CQW999 0.0 40.4 1.0
C2 A:CQW999 1.7 33.5 1.0
C3 A:CQW999 2.7 32.7 1.0
C13 A:CQW999 2.9 31.2 1.0
CE A:MET227 3.1 35.8 1.0
C28 A:CQW999 3.2 30.0 1.0
N14 A:CQW999 3.6 28.8 1.0
C12 A:CQW999 3.7 29.5 1.0
CE A:LYS179 3.9 43.9 1.0
N5 A:CQW999 3.9 31.6 1.0
SD A:MET227 4.0 35.2 1.0
C7 A:CQW999 4.0 30.4 1.0
CG2 A:VAL164 4.3 40.7 1.0
CG1 A:VAL164 4.3 40.4 1.0
CB A:THR291 4.4 34.9 1.0
C27 A:CQW999 4.4 28.9 1.0
NZ A:LYS179 4.5 48.0 1.0
CG2 A:THR291 4.5 36.4 1.0
CB A:LYS179 4.7 37.5 1.0
OD1 A:ASP292 4.9 35.6 1.0
CB A:VAL164 5.0 40.8 1.0
N11 A:CQW999 5.0 28.4 1.0
N26 A:CQW999 5.0 31.4 1.0

Reference:

B.Lippa, G.Pan, M.Corbett, C.Li, G.S.Kauffman, J.Pandit, S.Robinson, L.Wei, E.Kozina, E.S.Marr, G.Borzillo, E.Knauth, E.G.Barbacci-Tobin, P.Vincent, M.Troutman, D.Baker, F.Rajamohan, S.Kakar, T.Clark, J.Morris. Synthesis and Structure Based Optimization of Novel Akt Inhibitors Bioorg.Med.Chem.Lett. V. 18 3359 2008.
ISSN: ISSN 0960-894X
PubMed: 18456494
DOI: 10.1016/J.BMCL.2008.04.034
Page generated: Fri Jul 11 04:12:14 2025

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