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Bromine in PDB 3c51: Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A

Enzymatic activity of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A

All present enzymatic activity of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A:
2.7.11.14;

Protein crystallography data

The structure of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A, PDB code: 3c51 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) 19.88 / 3.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.657, 92.527, 259.383, 90.00, 90.00, 90.00
R / Rfree (%) 28.1 / n/a

Other elements in 3c51:

The structure of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A (pdb code 3c51). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A, PDB code: 3c51:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in 3c51

Go back to Bromine Binding Sites List in 3c51
Bromine binding site 1 out of 5 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br565

b:0.9
occ:1.00
 NH2 B:ARG170 3.5 0.1 1.0
N A:LEU166 3.7 0.7 1.0
CG A:LEU166 3.8 0.8 1.0
NE2 B:GLN173 3.8 0.4 1.0
CD1 A:LEU166 3.9 0.2 1.0
CB A:LEU166 4.1 0.1 1.0
CB A:SER165 4.1 0.3 1.0
OE1 B:GLN173 4.2 0.8 1.0
CD B:GLN173 4.3 0.1 1.0
CA A:SER165 4.4 0.8 1.0
CE1 A:HIS79 4.5 0.2 1.0
NE2 A:HIS79 4.5 0.7 1.0
CA A:LEU166 4.6 0.2 1.0
C A:SER165 4.6 0.3 1.0
CE1 A:TYR167 4.6 0.0 1.0
CZ B:ARG170 4.7 0.1 1.0
CD1 A:TYR167 4.8 0.3 1.0
NE B:ARG170 5.0 1.0 1.0

Bromine binding site 2 out of 5 in 3c51

Go back to Bromine Binding Sites List in 3c51
Bromine binding site 2 out of 5 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br566

b:0.7
occ:1.00
 N A:PHE389 2.9 0.9 1.0
N A:ARG390 3.1 0.9 1.0
N A:PRO388 3.3 0.9 1.0
CD A:PRO388 3.3 0.0 1.0
C A:GLY387 3.5 0.8 1.0
CG A:ARG390 3.5 0.5 1.0
CD A:ARG390 3.5 0.4 1.0
CA A:PHE389 3.6 0.3 1.0
CG A:PRO388 3.6 0.5 1.0
CB A:PHE389 3.6 0.4 1.0
C A:PRO388 3.7 0.6 1.0
CD1 A:PHE389 3.7 0.1 1.0
CA A:GLY387 3.7 0.7 1.0
CB A:ARG390 3.8 0.5 1.0
C A:PHE389 3.8 0.5 1.0
NE A:ARG390 3.9 0.8 1.0
CA A:PRO388 3.9 0.3 1.0
CG A:PHE389 4.0 0.5 1.0
CA A:ARG390 4.1 0.1 1.0
O A:GLY387 4.2 0.1 1.0
CB A:PRO388 4.3 0.2 1.0
CZ A:ARG390 4.3 0.4 1.0
O A:GLY354 4.4 0.2 1.0
NH1 A:ARG390 4.4 0.7 1.0
O A:PRO388 4.6 0.7 1.0
CE1 A:PHE389 4.7 0.1 1.0
O A:ARG390 4.8 0.1 1.0
CG1 A:VAL377 4.9 0.3 1.0
C A:ARG390 5.0 0.2 1.0

Bromine binding site 3 out of 5 in 3c51

Go back to Bromine Binding Sites List in 3c51
Bromine binding site 3 out of 5 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br566

b:99.9
occ:1.00
 N B:LEU166 3.6 0.8 1.0
NE2 A:GLN173 3.6 0.8 1.0
NH2 A:ARG170 3.8 0.9 1.0
CD1 B:LEU166 3.8 0.9 1.0
CG B:LEU166 3.8 0.2 1.0
OE1 A:GLN173 4.0 0.9 1.0
CB B:LEU166 4.0 0.0 1.0
CB B:SER165 4.0 0.3 1.0
CE1 B:TYR167 4.1 0.6 1.0
CA B:SER165 4.2 0.7 1.0
CD A:GLN173 4.3 0.7 1.0
CD1 B:TYR167 4.3 0.5 1.0
CA B:LEU166 4.4 0.3 1.0
C B:SER165 4.5 0.2 1.0
OG B:SER165 4.5 0.0 1.0
CE1 B:HIS79 4.6 0.6 1.0
CZ A:ARG170 4.8 0.3 1.0
NE A:ARG170 4.9 0.8 1.0

Bromine binding site 4 out of 5 in 3c51

Go back to Bromine Binding Sites List in 3c51
Bromine binding site 4 out of 5 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br567

b:0.8
occ:1.00
 CD1 A:LEU212 3.7 0.4 1.0
CZ A:PHE190 3.8 0.3 1.0
CE1 A:PHE190 3.8 0.6 1.0
NH2 A:ARG191 4.0 0.2 1.0
ND2 A:ASN268 4.6 0.4 1.0
CZ A:ARG191 4.9 0.0 1.0
CG A:LEU212 4.9 0.8 1.0
NE A:ARG191 5.0 0.7 1.0

Bromine binding site 5 out of 5 in 3c51

Go back to Bromine Binding Sites List in 3c51
Bromine binding site 5 out of 5 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 3.55A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br568

b:0.6
occ:1.00
 CG A:ARG532 3.5 0.4 1.0
N A:ARG532 3.8 1.0 1.0
N B:ARG532 3.8 0.1 1.0
CB B:TRP531 3.9 0.1 1.0
CG B:ARG532 4.0 0.4 1.0
O A:ARG532 4.0 0.8 1.0
CB A:TRP531 4.0 0.6 1.0
O B:ARG532 4.1 0.7 1.0
N B:TRP531 4.3 0.5 1.0
CD A:ARG532 4.5 1.0 1.0
CA B:TRP531 4.5 0.5 1.0
CA A:ARG532 4.5 0.5 1.0
N A:TRP531 4.6 0.7 1.0
C A:ARG532 4.6 0.6 1.0
CB A:ARG532 4.6 0.2 1.0
CA B:ARG532 4.6 0.4 1.0
C B:ARG532 4.7 0.5 1.0
CA A:TRP531 4.7 0.6 1.0
C B:TRP531 4.7 0.4 1.0
C A:TRP531 4.8 0.5 1.0
CD1 B:TRP531 4.8 0.4 1.0
CG B:TRP531 4.8 0.8 1.0
CB B:ARG532 4.9 0.1 1.0
CG A:TRP531 4.9 0.6 1.0
CD1 A:TRP531 4.9 0.9 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: Wed Jul 10 19:11:50 2024

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