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Chlorine in PDB 3qqh: CDK2 in Complex with Inhibitor L2-2

Enzymatic activity of CDK2 in Complex with Inhibitor L2-2

All present enzymatic activity of CDK2 in Complex with Inhibitor L2-2:
2.7.11.22;

Protein crystallography data

The structure of CDK2 in Complex with Inhibitor L2-2, PDB code: 3qqh was solved by S.Betzi, R.Alam, H.Han, A.Becker, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.77 / 1.87
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.430, 70.900, 71.470, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 23.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the CDK2 in Complex with Inhibitor L2-2 (pdb code 3qqh). 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 CDK2 in Complex with Inhibitor L2-2, PDB code: 3qqh:

Chlorine binding site 1 out of 1 in 3qqh

Go back to Chlorine Binding Sites List in 3qqh
Chlorine binding site 1 out of 1 in the CDK2 in Complex with Inhibitor L2-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of CDK2 in Complex with Inhibitor L2-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:25.8
occ:1.00
CL22 A:X0A303 0.0 25.8 1.0
C06 A:X0A303 1.7 24.7 1.0
C07 A:X0A303 2.7 24.6 1.0
C11 A:X0A303 2.7 24.6 1.0
OD2 A:ASP145 3.3 31.8 1.0
OD1 A:ASP145 3.7 32.0 1.0
O A:HOH458 3.7 46.7 1.0
O A:HOH360 3.7 28.3 1.0
CG A:ASP145 3.7 28.7 1.0
CB A:ALA144 3.9 15.3 1.0
CE2 A:PHE80 4.0 17.1 1.0
CD2 A:PHE80 4.0 17.2 1.0
CG2 A:VAL18 4.0 22.9 1.0
C08 A:X0A303 4.0 24.2 1.0
C10 A:X0A303 4.1 25.2 1.0
CG1 A:VAL18 4.5 22.4 1.0
CZ A:PHE80 4.5 18.0 1.0
CG A:PHE80 4.6 15.9 1.0
C09 A:X0A303 4.6 24.6 1.0
CD A:LYS33 4.7 25.2 1.0
CB A:VAL18 4.9 22.6 1.0
CD1 A:LEU134 4.9 21.0 1.0
CB A:ASP145 4.9 25.7 1.0
N A:ASP145 5.0 19.2 1.0

Reference:

E.Schonbrunn, A.Becker, S.Betzi, R.Alam, H.Han, F.Rawle, V.Katta, J.Jakkaraj, R.Chakrasali, S.Neelam, D.Hook, J.Tash, G.Georg. Structure-Guided Optimization of Novel CDK2 Inhibitors Discovered By High-Throughput Screening To Be Published.
Page generated: Fri Jul 11 09:30:29 2025

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