Atomistry » Chlorine » PDB 4pk6-4pws » 4pni
Atomistry »
  Chlorine »
    PDB 4pk6-4pws »
      4pni »

Chlorine in PDB 4pni: Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A

Enzymatic activity of Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A

All present enzymatic activity of Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A:
2.7.11.14;

Protein crystallography data

The structure of Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A, PDB code: 4pni was solved by K.T.Homan, J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.67 / 1.85
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.485, 66.566, 205.499, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 23

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A (pdb code 4pni). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A, PDB code: 4pni:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4pni

Go back to Chlorine Binding Sites List in 4pni
Chlorine binding site 1 out of 6 in the Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:45.5
occ:1.00
 N A:LEU166 3.2 40.9 1.0
CG A:LEU166 3.7 36.8 1.0
CB A:SER165 3.9 40.0 1.0
CB A:LEU166 3.9 40.2 1.0
CA A:SER165 4.0 37.3 1.0
C A:SER165 4.1 39.0 1.0
CA A:LEU166 4.1 39.9 1.0
CD1 A:LEU166 4.3 44.1 1.0
CE1 A:TYR167 4.5 43.2 1.0
CD1 A:TYR167 4.5 43.0 1.0
OG A:SER165 4.8 40.9 1.0
CD2 A:LEU166 4.8 42.0 1.0
CE1 A:HIS79 5.0 55.0 1.0
N A:TYR167 5.0 36.9 1.0

Chlorine binding site 2 out of 6 in 4pni

Go back to Chlorine Binding Sites List in 4pni
Chlorine binding site 2 out of 6 in the Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:36.5
occ:1.00
 O A:HOH721 3.1 49.4 1.0
N A:GLN287 3.3 33.2 1.0
O A:HOH730 3.3 34.3 1.0
NH1 A:ARG290 3.4 34.5 1.0
CD A:ARG290 3.6 32.5 1.0
CA A:PHE286 3.7 31.5 1.0
CG A:GLN287 4.0 40.2 1.0
C A:PHE286 4.0 31.2 1.0
CB A:GLN287 4.1 39.1 1.0
CA A:GLN287 4.3 37.2 1.0
CB A:PHE286 4.3 35.5 1.0
CD1 A:PHE286 4.3 30.4 1.0
O A:GLY285 4.4 42.3 1.0
CZ A:ARG290 4.4 32.5 1.0
NE A:ARG290 4.4 33.3 1.0
CB A:ARG290 4.5 31.5 1.0
CG A:ARG290 4.7 33.0 1.0
CD2 A:PHE469 4.7 50.2 1.0
CG A:PHE286 4.7 30.4 1.0
N A:PHE286 4.9 32.6 1.0
O A:HOH725 4.9 55.5 1.0
CE2 A:PHE469 5.0 53.2 1.0
O A:GLN287 5.0 34.1 1.0

Chlorine binding site 3 out of 6 in 4pni

Go back to Chlorine Binding Sites List in 4pni
Chlorine binding site 3 out of 6 in the Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl604

b:63.5
occ:1.00
 O A:HOH703 3.2 44.4 1.0
NH2 A:ARG386 3.3 52.8 1.0
NE2 A:GLN408 3.4 50.1 1.0
C A:PHE389 3.6 47.6 1.0
O A:PHE389 3.6 42.7 1.0
N A:ARG390 3.8 46.7 1.0
NH1 A:ARG386 4.1 54.1 1.0
CA A:PHE389 4.2 43.5 1.0
CZ A:ARG386 4.2 57.4 1.0
CA A:ARG390 4.3 49.5 1.0
CD A:GLN408 4.3 48.5 1.0
OE1 A:GLN408 4.4 58.8 1.0
O A:PRO388 4.4 42.5 1.0
NH1 A:ARG404 4.5 44.7 1.0
C A:ARG390 4.6 54.2 1.0
N A:ALA391 4.7 44.5 1.0
O A:HOH774 4.9 47.0 1.0
N A:PHE389 4.9 39.2 1.0
C A:PRO388 5.0 39.9 1.0

Chlorine binding site 4 out of 6 in 4pni

Go back to Chlorine Binding Sites List in 4pni
Chlorine binding site 4 out of 6 in the Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl605

b:67.4
occ:1.00
 N A:TRP457 3.5 37.8 1.0
N A:ARG458 3.7 40.6 1.0
CB A:TRP457 4.0 37.9 1.0
CA A:TRP457 4.1 40.1 1.0
C A:SER456 4.2 35.2 1.0
CG A:ARG458 4.2 53.8 1.0
CA A:SER456 4.3 39.5 1.0
CD A:ARG458 4.3 53.7 1.0
OG A:SER456 4.3 48.7 1.0
CB A:ARG458 4.3 50.4 1.0
C A:TRP457 4.4 41.7 1.0
CD1 A:TRP457 4.5 40.5 1.0
NE A:ARG458 4.5 47.2 1.0
CA A:ARG458 4.6 44.9 1.0
CG A:TRP457 4.7 39.8 1.0
OD2 A:ASP140 4.8 89.6 1.0
O A:ILE455 4.8 43.1 1.0
CB A:SER456 4.9 44.2 1.0

Chlorine binding site 5 out of 6 in 4pni

Go back to Chlorine Binding Sites List in 4pni
Chlorine binding site 5 out of 6 in the Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl606

b:50.0
occ:1.00
 O A:HOH846 2.8 46.1 1.0
N A:PHE389 3.2 39.2 1.0
O A:HOH883 3.3 52.7 1.0
CB A:PHE389 3.5 44.8 1.0
CA A:GLY387 3.6 40.4 1.0
C A:GLY387 3.6 38.9 1.0
CA A:PHE389 3.7 43.5 1.0
N A:ARG390 3.7 46.7 1.0
N A:PRO388 3.7 38.0 1.0
CD A:PRO388 3.7 43.0 1.0
CB A:ARG390 3.7 56.7 1.0
C A:PHE389 3.8 47.6 1.0
CD2 A:PHE389 3.9 42.3 1.0
O A:HOH882 4.0 50.9 1.0
CG A:PHE389 4.2 43.9 1.0
C A:PRO388 4.3 39.9 1.0
CA A:ARG390 4.3 49.5 1.0
O A:GLY387 4.3 44.5 1.0
CA A:PRO388 4.5 39.2 1.0
N A:GLY387 4.5 39.5 1.0
CG A:PRO388 4.6 36.7 1.0
CD1 A:LEU401 4.6 49.0 1.0
O A:PHE389 4.7 42.7 1.0
O A:GLY354 4.8 41.7 1.0
O A:ARG390 4.8 50.2 1.0
NE A:ARG390 4.8 58.2 1.0
CA A:GLY354 4.8 44.7 1.0
CG A:ARG390 4.9 58.0 1.0

Chlorine binding site 6 out of 6 in 4pni

Go back to Chlorine Binding Sites List in 4pni
Chlorine binding site 6 out of 6 in the Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Bovine G Protein-Coupled Receptor Kinase 1 in Complex with GSK2163632A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl607

b:76.1
occ:1.00
 NZ A:LYS90 3.2 82.7 1.0
O A:HOH917 3.5 53.4 1.0
O A:GLN73 3.8 40.7 1.0
CB A:ARG77 3.9 43.0 1.0
C A:GLN73 4.0 42.5 1.0
CB A:GLN73 4.2 37.0 1.0
CG A:ARG77 4.2 48.2 1.0
N A:GLN74 4.3 39.2 1.0
O A:HOH723 4.3 56.0 1.0
CD2 A:LEU86 4.4 49.0 1.0
CA A:GLN74 4.4 41.4 1.0
CG A:GLN74 4.6 48.7 1.0
CE A:LYS90 4.7 73.6 1.0
CA A:GLN73 4.7 36.2 1.0
CD A:ARG77 4.9 61.4 1.0

Reference:

K.T.Homan, K.M.Larimore, J.M.Elkins, M.Sklarz, S.Knapp, J.J.Tesmer. Identification and Structure-Function Analysis of Sub-Family Selective G Protein-Coupled Receptor Kinase Inhibitors. Acs Chem.Biol. 2014.
ISSN: ESSN 1554-8937
PubMed: 25238254
DOI: 10.1021/CB5006323
Page generated: Fri Jul 11 20:30:59 2025

Last articles

Mg in 5BYA
Mg in 5BXN
Mg in 5BYB
Mg in 5BXL
Mg in 5BY0
Mg in 5BTP
Mg in 5BXY
Mg in 5BXW
Mg in 5BXQ
Mg in 5BTN
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy