Chlorine in PDB 3c4w: Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Atp and Magnesium Chloride at 2.7A

Enzymatic activity of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Atp and Magnesium Chloride at 2.7A

All present enzymatic activity of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Atp and Magnesium Chloride at 2.7A:
2.7.11.14;

Protein crystallography data

The structure of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Atp and Magnesium Chloride at 2.7A, PDB code: 3c4w was solved by P.Singh, J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.98 / 2.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 202.889, 55.054, 122.699, 90.00, 100.82, 90.00
R / Rfree (%) 19.2 / n/a

Other elements in 3c4w:

The structure of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Atp and Magnesium Chloride at 2.7A also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Atp and Magnesium Chloride at 2.7A (pdb code 3c4w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Atp and Magnesium Chloride at 2.7A, PDB code: 3c4w:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3c4w

Go back to Chlorine Binding Sites List in 3c4w
Chlorine binding site 1 out of 3 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Atp and Magnesium Chloride at 2.7A


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 G Protein Coupled Receptor Kinase 1 Bound to Atp and Magnesium Chloride at 2.7A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl565

b:21.4
occ:1.00
 N A:LEU166 3.3 13.2 1.0
NE2 B:GLN173 3.5 12.3 1.0
CB A:SER165 3.5 13.3 1.0
NH1 B:ARG170 3.6 26.8 1.0
O A:HOH670 3.6 14.2 1.0
CA A:SER165 3.7 13.3 1.0
CG A:LEU166 3.9 10.1 1.0
C A:SER165 4.0 13.9 1.0
CB A:LEU166 4.0 12.2 1.0
NH2 B:ARG170 4.3 23.6 1.0
CA A:LEU166 4.3 12.5 1.0
CZ B:ARG170 4.4 19.9 1.0
CD B:GLN173 4.5 16.5 1.0
CD1 A:TYR167 4.5 10.5 1.0
CE1 A:TYR167 4.5 10.4 1.0
CD1 A:LEU166 4.5 8.6 1.0
OE1 B:GLN173 4.6 19.0 1.0
OG A:SER165 4.6 8.5 1.0
CD2 B:LEU44 5.0 16.8 1.0
N A:TYR167 5.0 12.1 1.0

Chlorine binding site 2 out of 3 in 3c4w

Go back to Chlorine Binding Sites List in 3c4w
Chlorine binding site 2 out of 3 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Atp and Magnesium Chloride at 2.7A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Atp and Magnesium Chloride at 2.7A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl566

b:23.0
occ:1.00
 N A:GLN287 3.2 27.2 1.0
CD A:ARG290 3.4 21.7 1.0
NH1 A:ARG290 3.5 26.8 1.0
CA A:PHE286 3.6 28.0 1.0
C A:PHE286 3.9 26.9 1.0
CG A:GLN287 3.9 29.4 1.0
CB A:PHE286 4.1 27.6 1.0
CD2 A:PHE286 4.1 26.1 1.0
CB A:GLN287 4.2 26.7 1.0
CG2 A:VAL279 4.2 37.1 1.0
CA A:GLN287 4.3 27.0 1.0
NE A:ARG290 4.3 26.0 1.0
O A:GLY285 4.4 30.3 1.0
CZ A:ARG290 4.4 26.7 1.0
CB A:ARG290 4.4 21.9 1.0
CG A:ARG290 4.5 21.5 1.0
CG A:PHE286 4.5 27.2 1.0
N A:PHE286 4.7 28.8 1.0
C A:GLY285 5.0 29.8 1.0

Chlorine binding site 3 out of 3 in 3c4w

Go back to Chlorine Binding Sites List in 3c4w
Chlorine binding site 3 out of 3 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Atp and Magnesium Chloride at 2.7A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Atp and Magnesium Chloride at 2.7A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl567

b:16.3
occ:1.00
 NE2 A:GLN173 3.2 11.3 1.0
NH2 A:ARG170 3.5 21.1 1.0
N B:LEU166 3.6 13.2 1.0
CG B:LEU166 3.8 11.6 1.0
CB B:LEU166 3.9 12.0 1.0
CD1 B:LEU166 4.0 9.1 1.0
OE1 A:GLN173 4.1 15.7 1.0
CD A:GLN173 4.1 15.7 1.0
CB B:SER165 4.1 13.5 1.0
O B:HOH619 4.2 28.2 1.0
CA B:SER165 4.3 13.4 1.0
CA B:LEU166 4.3 12.5 1.0
C B:SER165 4.5 14.0 1.0
CE1 B:TYR167 4.5 8.9 1.0
CZ A:ARG170 4.5 17.4 1.0
CD1 B:TYR167 4.6 9.4 1.0
NE A:ARG170 4.7 18.7 1.0
OG B:SER165 4.8 8.8 1.0

Reference:

P.Singh, B.Wang, T.Maeda, K.Palczewski, J.J.Tesmer. Structures of Rhodopsin Kinase in Different Ligand States Reveal Key Elements Involved in G Protein-Coupled Receptor Kinase Activation. J.Biol.Chem. V. 283 14053 2008.
ISSN: ISSN 0021-9258
PubMed: 18339619
DOI: 10.1074/JBC.M708974200
Page generated: Sat Jul 20 16:51:17 2024

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