Atomistry » Chlorine » PDB 5mgg-5mls » 5mhi
Atomistry »
  Chlorine »
    PDB 5mgg-5mls »
      5mhi »

Chlorine in PDB 5mhi: Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule (5-Chloro-2-Methoxyphenyl)Methanamine

Enzymatic activity of Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule (5-Chloro-2-Methoxyphenyl)Methanamine

All present enzymatic activity of Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule (5-Chloro-2-Methoxyphenyl)Methanamine:
2.7.11.11;

Protein crystallography data

The structure of Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule (5-Chloro-2-Methoxyphenyl)Methanamine, PDB code: 5mhi was solved by C.Siefker, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.48 / 1.49
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.341, 72.594, 108.646, 90.00, 90.00, 90.00
R / Rfree (%) 14.7 / 16.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule (5-Chloro-2-Methoxyphenyl)Methanamine (pdb code 5mhi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule (5-Chloro-2-Methoxyphenyl)Methanamine, PDB code: 5mhi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5mhi

Go back to Chlorine Binding Sites List in 5mhi
Chlorine binding site 1 out of 2 in the Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule (5-Chloro-2-Methoxyphenyl)Methanamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule (5-Chloro-2-Methoxyphenyl)Methanamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:45.6
occ:1.00
 CL A:7N9402 0.0 45.6 1.0
C4 A:7N9402 1.7 47.6 1.0
C5 A:7N9402 2.7 48.2 1.0
C3 A:7N9402 2.7 48.3 1.0
H8 A:7N9402 2.8 57.8 1.0
H7 A:7N9402 2.8 57.9 1.0
O A:GLU121 2.9 23.0 1.0
HB3 A:ALA70 3.0 27.6 1.0
HG23 A:VAL123 3.0 27.8 1.0
H A:VAL123 3.1 26.6 1.0
HB2 A:ALA70 3.1 27.6 1.0
HD11 A:LEU173 3.2 28.6 0.5
HA A:TYR122 3.3 25.5 1.0
HD22 A:LEU173 3.3 30.9 0.5
HD13 A:LEU173 3.3 28.6 0.5
HD12 A:LEU173 3.3 28.6 0.5
CB A:ALA70 3.4 23.0 1.0
CD1 A:LEU173 3.4 23.8 0.5
HG21 A:VAL104 3.5 30.8 1.0
HG21 A:THR183 3.6 29.4 0.5
HB1 A:ALA70 3.7 27.6 1.0
HD23 A:LEU173 3.7 30.9 0.5
HB A:VAL123 3.7 27.5 1.0
N A:VAL123 3.8 22.2 1.0
CD2 A:LEU173 3.8 25.8 0.5
CG2 A:VAL123 3.8 23.2 1.0
HD21 A:LEU173 3.9 30.9 0.5
C2 A:7N9402 4.0 47.0 1.0
C6 A:7N9402 4.0 46.4 1.0
HG21 A:THR183 4.0 31.6 0.5
HG21 A:VAL123 4.0 27.8 1.0
C A:GLU121 4.1 21.9 1.0
HB2 A:MET120 4.1 29.9 0.6
HD1 A:TYR122 4.1 27.1 1.0
CA A:TYR122 4.1 21.3 1.0
HG22 A:THR183 4.1 29.4 0.5
CB A:VAL123 4.2 22.9 1.0
HG23 A:VAL104 4.2 30.8 1.0
HB2 A:MET120 4.3 34.4 0.4
HB3 A:MET120 4.3 29.9 0.6
CG2 A:VAL104 4.3 25.6 1.0
HG3 A:MET120 4.3 40.4 0.4
CG2 A:THR183 4.3 24.5 0.5
C A:TYR122 4.4 22.3 1.0
C1 A:7N9402 4.5 47.9 1.0
N A:TYR122 4.6 22.1 1.0
HG23 A:THR183 4.6 31.6 0.5
CA A:VAL123 4.6 21.7 1.0
HG22 A:VAL123 4.6 27.8 1.0
CB A:MET120 4.7 24.9 0.6
OG1 A:THR183 4.7 32.6 0.5
H A:ALA70 4.7 29.4 1.0
SD A:MET120 4.7 28.2 0.6
CG2 A:THR183 4.7 26.4 0.5
HE2 A:MET120 4.8 34.6 0.6
HG22 A:VAL104 4.8 30.8 1.0
H6 A:7N9402 4.8 56.4 1.0
HG23 A:THR183 4.8 29.4 0.5
CA A:ALA70 4.9 23.3 1.0
HG2 A:MET120 4.9 40.4 0.4
CG A:LEU173 4.9 20.9 0.5
CG A:MET120 4.9 33.7 0.4
CD1 A:TYR122 5.0 22.6 1.0

Chlorine binding site 2 out of 2 in 5mhi

Go back to Chlorine Binding Sites List in 5mhi
Chlorine binding site 2 out of 2 in the Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule (5-Chloro-2-Methoxyphenyl)Methanamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule (5-Chloro-2-Methoxyphenyl)Methanamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:47.8
occ:1.00
 CL A:7N9403 0.0 47.8 1.0
C4 A:7N9403 1.7 48.9 1.0
C5 A:7N9403 2.7 50.0 1.0
C3 A:7N9403 2.7 48.6 1.0
HB3 A:ARG137 3.2 19.2 1.0
HD3 A:ARG137 3.3 23.4 1.0
HA3 A:GLY136 3.3 19.5 1.0
HA3 A:GLY234 3.4 18.1 1.0
C A:GLY136 3.5 15.5 1.0
HH11 A:ARG137 3.6 35.8 1.0
O A:ALA233 3.6 15.7 1.0
HA2 A:GLY136 3.7 19.5 1.0
CA A:GLY136 3.7 16.2 1.0
O A:GLY136 3.8 16.7 1.0
HG2 A:ARG137 3.8 21.1 1.0
N A:ARG137 3.9 16.8 1.0
C2 A:7N9403 4.0 50.3 1.0
C6 A:7N9403 4.0 51.5 1.0
CB A:ARG137 4.0 16.0 1.0
CD A:ARG137 4.1 19.5 1.0
H A:ARG137 4.1 20.1 1.0
CG A:ARG137 4.2 17.6 1.0
NH1 A:ARG137 4.3 29.9 1.0
O A:HOH630 4.4 20.8 1.0
CA A:GLY234 4.4 15.1 1.0
C1 A:7N9403 4.5 51.7 1.0
CA A:ARG137 4.6 15.6 1.0
C A:ALA233 4.6 14.2 1.0
HD2 A:ARG137 4.7 23.4 1.0
HH12 A:ARG137 4.7 35.8 1.0
HA2 A:GLY234 4.7 18.1 1.0
HB2 A:ARG137 4.8 19.2 1.0
HD2 A:TYR235 4.9 21.1 1.0
N A:GLY234 4.9 14.2 1.0
NE A:ARG137 4.9 22.1 1.0
HA A:ARG137 4.9 18.7 1.0

Reference:

C.Siefker, A.Heine, G.Klebe. A Crystallographic Fragment Study with Camp-Dependent Protein Kinase A To Be Published.
Page generated: Sat Jul 12 05:29:22 2025

Last articles

Co in 1CCW
Co in 1C0W
Co in 1CIA
Co in 1CB7
Co in 1CAH
Co in 1C27
Co in 1C4G
Co in 1C24
Co in 1C23
Co in 1C22
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy