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Chlorine in PDB 5o5m: Crystal Structure of the Protein-Kinase A Catalytic Subunit From Criteculus Griseus in Complex with Compounds RKP120 and RKP117

Enzymatic activity of Crystal Structure of the Protein-Kinase A Catalytic Subunit From Criteculus Griseus in Complex with Compounds RKP120 and RKP117

All present enzymatic activity of Crystal Structure of the Protein-Kinase A Catalytic Subunit From Criteculus Griseus in Complex with Compounds RKP120 and RKP117:
2.7.11.11;

Protein crystallography data

The structure of Crystal Structure of the Protein-Kinase A Catalytic Subunit From Criteculus Griseus in Complex with Compounds RKP120 and RKP117, PDB code: 5o5m was solved by J.M.Mueller, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.92 / 1.58
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.982, 72.633, 76.830, 90.00, 90.00, 90.00
R / Rfree (%) 14.8 / 18.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Protein-Kinase A Catalytic Subunit From Criteculus Griseus in Complex with Compounds RKP120 and RKP117 (pdb code 5o5m). 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 Protein-Kinase A Catalytic Subunit From Criteculus Griseus in Complex with Compounds RKP120 and RKP117, PDB code: 5o5m:

Chlorine binding site 1 out of 1 in 5o5m

Go back to Chlorine Binding Sites List in 5o5m
Chlorine binding site 1 out of 1 in the Crystal Structure of the Protein-Kinase A Catalytic Subunit From Criteculus Griseus in Complex with Compounds RKP120 and RKP117


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 Protein-Kinase A Catalytic Subunit From Criteculus Griseus in Complex with Compounds RKP120 and RKP117 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl101

b:37.0
occ:1.00
 H C:ARG21 2.4 26.1 1.0
HH11 C:ARG21 2.7 36.0 1.0
HG3 C:ARG21 3.0 27.3 1.0
N C:ARG21 3.3 21.8 1.0
HB2 C:ARG21 3.3 24.6 1.0
NH1 C:ARG21 3.4 30.0 1.0
HA3 C:GLY20 3.5 27.6 1.0
O C:HOH208 3.5 42.2 1.0
HD2 C:ARG21 3.5 30.5 1.0
HA2 C:GLY20 3.6 27.6 1.0
HH12 C:ARG21 3.7 36.0 1.0
CG C:ARG21 3.7 22.8 1.0
CB C:ARG21 3.8 20.5 1.0
CA C:GLY20 3.9 23.0 1.0
CD C:ARG21 4.1 25.4 1.0
C C:GLY20 4.1 22.3 1.0
CA C:ARG21 4.2 20.2 1.0
HE2 A:PHE129 4.3 28.6 1.0
CZ C:ARG21 4.5 29.7 1.0
HG2 C:ARG21 4.5 27.3 1.0
HB3 C:ARG21 4.7 24.6 1.0
NE C:ARG21 4.8 27.8 1.0
HA C:ARG21 4.8 24.2 1.0
HD3 C:ARG21 4.9 30.5 1.0
HZ A:PHE129 4.9 28.6 1.0
CE2 A:PHE129 4.9 23.8 1.0

Reference:

J.M.Mueller, R.Kirschner, A.Geyer, G.Klebe. Conceptional Design of Self-Assembling Bisubstrate-Like Inhibitors of Protein Kinase A Resulting in A Boronic Acid Glutamate Linkage Acs Omega 2019.
ISSN: ESSN 2470-1343
DOI: 10.1021/ACSOMEGA.8B02364
Page generated: Fri Jul 26 14:07:53 2024

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