Chlorine in PDB 6i2h: Crystal Structure of the Protein-Kinase A Catalytic Subunit From Cricetulus Griseus in Complex with Compounds RKP182 and RKP190

Enzymatic activity of Crystal Structure of the Protein-Kinase A Catalytic Subunit From Cricetulus Griseus in Complex with Compounds RKP182 and RKP190

All present enzymatic activity of Crystal Structure of the Protein-Kinase A Catalytic Subunit From Cricetulus Griseus in Complex with Compounds RKP182 and RKP190:
2.7.11.11;

Protein crystallography data

The structure of Crystal Structure of the Protein-Kinase A Catalytic Subunit From Cricetulus Griseus in Complex with Compounds RKP182 and RKP190, PDB code: 6i2h 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) 45.31 / 1.68
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.470, 71.698, 109.612, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 20.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Protein-Kinase A Catalytic Subunit From Cricetulus Griseus in Complex with Compounds RKP182 and RKP190 (pdb code 6i2h). 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 Cricetulus Griseus in Complex with Compounds RKP182 and RKP190, PDB code: 6i2h:

Chlorine binding site 1 out of 1 in 6i2h

Go back to Chlorine Binding Sites List in 6i2h
Chlorine binding site 1 out of 1 in the Crystal Structure of the Protein-Kinase A Catalytic Subunit From Cricetulus Griseus in Complex with Compounds RKP182 and RKP190


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 Cricetulus Griseus in Complex with Compounds RKP182 and RKP190 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl102

b:40.8
occ:1.00
H D:ARG21 2.5 25.9 1.0
HB3 D:SER20 2.7 33.6 1.0
HH11 D:ARG21 2.8 38.7 1.0
HB2 D:ARG21 3.2 26.9 1.0
HG3 D:ARG21 3.2 29.7 1.0
N D:ARG21 3.4 21.6 1.0
NH1 D:ARG21 3.5 32.3 1.0
HD2 D:ARG21 3.5 33.0 1.0
H1 D:RIP101 3.6 32.0 1.0
CB D:SER20 3.7 28.0 1.0
HH12 D:ARG21 3.7 38.7 1.0
CG D:ARG21 3.8 24.8 1.0
CB D:ARG21 3.8 22.4 1.0
HA D:SER20 4.0 28.0 1.0
CD D:ARG21 4.1 27.5 1.0
CA D:ARG21 4.2 21.3 1.0
HB2 D:SER20 4.2 33.6 1.0
CA D:SER20 4.2 23.3 1.0
C D:SER20 4.3 21.4 1.0
OG D:SER20 4.4 35.7 1.0
C1 D:RIP101 4.4 26.6 1.0
CZ D:ARG21 4.5 31.2 1.0
HE2 A:PHE129 4.7 31.5 1.0
HB3 D:ARG21 4.7 26.9 1.0
HG2 D:ARG21 4.7 29.7 1.0
HZ A:PHE129 4.8 28.4 1.0
NE D:ARG21 4.8 28.3 1.0
HA D:ARG21 4.9 25.6 1.0
HD3 D:ARG21 4.9 33.0 1.0
O D:ARG21 5.0 22.9 1.0

Reference:

J.M.Mueller, R.Kirschner, A.Heine, A.Geyer, G.Klebe. Crystal Structure of the Protein-Kinase A Catalytic Subunit From Cricetulus Griseus in Complex with Compounds RKP182 and RKP190 To Be Published.
Page generated: Sat Dec 12 13:09:37 2020

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