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Chlorine in PDB 3c50: Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A

Enzymatic activity of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A

All present enzymatic activity of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A:
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 2.6A, PDB code: 3c50 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) 20.00 / 2.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.504, 122.304, 174.076, 90.00, 90.00, 90.00
R / Rfree (%) 19 / n/a

Other elements in 3c50:

The structure of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A (pdb code 3c50). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A, PDB code: 3c50:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3c50

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Chlorine binding site 1 out of 8 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A


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 Adp and Magnesium Chloride at 2.6A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl566

b:41.1
occ:1.00
 O A:HOH631 3.0 35.4 1.0
NE A:ARG390 3.3 35.4 1.0
N A:PHE389 3.3 36.3 1.0
N A:ARG390 3.5 35.7 1.0
CA A:GLY387 3.5 37.0 1.0
C A:GLY387 3.6 36.9 1.0
CB A:PHE389 3.7 36.3 1.0
N A:PRO388 3.8 36.8 1.0
NH2 A:ARG390 3.8 37.0 1.0
CA A:PHE389 3.8 36.2 1.0
CB A:ARG390 3.9 35.6 1.0
CD A:PRO388 3.9 37.0 1.0
C A:PHE389 3.9 35.8 1.0
CG A:ARG390 4.0 35.4 1.0
CZ A:ARG390 4.0 35.5 1.0
O A:GLY387 4.1 37.3 1.0
CD1 A:PHE389 4.3 37.8 1.0
CD A:ARG390 4.3 36.0 1.0
CA A:ARG390 4.3 36.0 1.0
C A:PRO388 4.4 36.5 1.0
CG A:PHE389 4.5 37.0 1.0
N A:GLY387 4.5 37.0 1.0
CA A:PRO388 4.7 36.7 1.0
O A:ARG390 4.8 36.8 1.0
CG A:PRO388 4.9 36.6 1.0
O A:PHE389 4.9 35.2 1.0
O A:GLY354 5.0 36.8 1.0

Chlorine binding site 2 out of 8 in 3c50

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Chlorine binding site 2 out of 8 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A


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 Adp and Magnesium Chloride at 2.6A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl567

b:38.4
occ:1.00
 O A:HOH646 3.2 21.6 1.0
N A:PHE143 3.2 42.1 1.0
CA A:PHE143 3.4 41.5 1.0
N A:LEU146 3.5 37.1 1.0
CB A:LEU146 3.6 36.2 1.0
CD A:PRO145 3.6 38.7 1.0
CB A:ALA134 3.7 39.8 1.0
CA A:ALA134 3.8 40.4 1.0
CB A:PRO145 4.0 38.6 1.0
C A:PHE143 4.0 41.1 1.0
CG A:PRO145 4.0 38.2 1.0
CA A:LEU146 4.1 36.6 1.0
N A:PRO145 4.1 38.8 1.0
N A:GLN144 4.2 41.1 1.0
C A:PRO145 4.3 37.8 1.0
N A:ALA134 4.3 40.1 1.0
CD2 A:PHE143 4.3 39.0 1.0
CA A:PRO145 4.4 38.5 1.0
C A:LEU142 4.4 43.1 1.0
CD1 A:LEU142 4.7 42.4 1.0
O A:PHE143 4.7 41.1 1.0
CB A:PHE143 4.8 41.1 1.0
CA A:LEU142 4.8 43.6 1.0
CG A:LEU146 4.8 36.3 1.0
C A:ARG133 4.9 39.6 1.0
C A:GLN144 4.9 39.9 1.0
CD2 A:LEU146 5.0 35.2 1.0
O A:ARG133 5.0 39.3 1.0
O A:GLY141 5.0 44.6 1.0

Chlorine binding site 3 out of 8 in 3c50

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Chlorine binding site 3 out of 8 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A


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 Adp and Magnesium Chloride at 2.6A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl569

b:41.7
occ:1.00
 N A:GLY139 3.3 46.6 1.0
N A:ALA138 3.6 45.8 1.0
CA A:GLY137 3.6 44.4 1.0
C A:GLY137 3.8 45.1 1.0
CA A:GLY139 3.9 46.7 1.0
CD1 A:LEU142 4.0 42.4 1.0
O A:ALA136 4.1 42.8 1.0
CB A:LEU142 4.2 43.3 1.0
C A:ALA138 4.3 46.5 1.0
CA A:LEU142 4.4 43.6 1.0
N A:LEU142 4.4 44.0 1.0
CA A:ALA138 4.4 46.1 1.0
C A:GLY139 4.5 46.9 1.0
O A:HOH720 4.6 47.5 1.0
O A:GLY139 4.6 47.0 1.0
CG A:LEU142 4.6 43.5 1.0
O A:GLY137 4.7 45.2 1.0
N A:GLY137 4.7 43.9 1.0
C A:ALA136 4.8 43.2 1.0

Chlorine binding site 4 out of 8 in 3c50

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Chlorine binding site 4 out of 8 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl565

b:41.1
occ:1.00
 N A:LEU166 3.3 29.9 1.0
NE2 B:GLN173 3.4 26.6 1.0
O A:HOH644 3.4 32.6 1.0
NH2 B:ARG170 3.5 32.0 1.0
CB A:SER165 3.7 30.5 1.0
CG A:LEU166 3.8 28.9 1.0
CB A:LEU166 3.8 29.6 1.0
CA A:SER165 3.9 30.1 1.0
C A:SER165 4.1 29.7 1.0
CA A:LEU166 4.1 29.9 1.0
CD B:GLN173 4.3 28.5 1.0
OE1 B:GLN173 4.3 26.7 1.0
CD1 A:LEU166 4.4 25.6 1.0
CD1 A:TYR167 4.5 32.5 1.0
CE1 A:TYR167 4.5 31.3 1.0
CZ B:ARG170 4.6 31.3 1.0
OG A:SER165 4.8 30.2 1.0
N A:TYR167 4.9 30.4 1.0
NE B:ARG170 5.0 31.2 1.0

Chlorine binding site 5 out of 8 in 3c50

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Chlorine binding site 5 out of 8 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl566

b:46.7
occ:1.00
 N B:LEU166 3.3 28.6 1.0
NE2 A:GLN173 3.5 24.9 1.0
O B:HOH639 3.7 37.6 1.0
CB B:SER165 3.8 28.6 1.0
CG B:LEU166 3.8 28.0 1.0
CA B:SER165 3.8 28.7 1.0
CB B:LEU166 4.0 28.3 1.0
C B:SER165 4.1 28.6 1.0
CD1 B:LEU166 4.3 27.6 1.0
CA B:LEU166 4.3 28.6 1.0
NH2 A:ARG170 4.4 35.4 1.0
CD A:GLN173 4.4 28.2 1.0
OE1 A:GLN173 4.4 28.6 1.0
CE1 B:TYR167 4.8 29.0 1.0
CD1 B:TYR167 4.8 28.7 1.0
OG B:SER165 4.8 27.8 1.0

Chlorine binding site 6 out of 8 in 3c50

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Chlorine binding site 6 out of 8 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl567

b:33.3
occ:1.00
 NE B:ARG390 3.1 35.5 1.0
O B:HOH626 3.1 33.6 1.0
N B:PHE389 3.2 35.4 1.0
N B:ARG390 3.4 35.5 1.0
CA B:GLY387 3.5 35.9 1.0
C B:GLY387 3.5 35.4 1.0
O B:HOH701 3.6 28.4 1.0
NH2 B:ARG390 3.6 35.9 1.0
N B:PRO388 3.7 35.1 1.0
CB B:PHE389 3.7 35.6 1.0
CA B:PHE389 3.7 35.5 1.0
CZ B:ARG390 3.8 35.5 1.0
CB B:ARG390 3.9 35.3 1.0
C B:PHE389 3.9 35.4 1.0
CD B:PRO388 3.9 35.2 1.0
CG B:ARG390 3.9 35.0 1.0
O B:GLY387 4.0 35.5 1.0
CD B:ARG390 4.1 35.5 1.0
CD1 B:PHE389 4.2 36.1 1.0
CA B:ARG390 4.2 35.6 1.0
O B:HOH656 4.3 39.6 1.0
C B:PRO388 4.3 35.4 1.0
N B:GLY387 4.4 36.1 1.0
CG B:PHE389 4.4 35.9 1.0
CA B:PRO388 4.6 35.4 1.0
O B:ARG390 4.7 36.5 1.0
CG B:PRO388 4.8 35.2 1.0
O B:PHE389 4.8 35.2 1.0
C B:ARG390 5.0 35.9 1.0
CD1 B:LEU401 5.0 39.0 1.0

Chlorine binding site 7 out of 8 in 3c50

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Chlorine binding site 7 out of 8 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl568

b:52.3
occ:1.00
 N B:PHE143 3.2 43.0 1.0
CA B:PHE143 3.4 42.3 1.0
N B:LEU146 3.4 37.7 1.0
CD B:PRO145 3.5 39.7 1.0
CB B:ALA134 3.6 43.6 1.0
CB B:PRO145 3.7 39.3 1.0
CA B:ALA134 3.7 43.8 1.0
CG B:PRO145 3.7 39.5 1.0
CB B:LEU146 3.8 36.9 1.0
C B:PHE143 3.9 41.8 1.0
N B:PRO145 4.0 39.6 1.0
N B:GLN144 4.2 41.5 1.0
N B:ALA134 4.2 43.5 1.0
CA B:LEU146 4.2 37.0 1.0
C B:PRO145 4.2 38.9 1.0
CA B:PRO145 4.2 39.2 1.0
C B:LEU142 4.4 44.3 1.0
CD2 B:PHE143 4.5 39.2 1.0
O B:PHE143 4.5 41.7 1.0
C B:ARG133 4.6 43.3 1.0
O B:ARG133 4.6 43.5 1.0
CD1 B:LEU142 4.6 46.0 1.0
NE B:ARG133 4.7 45.9 1.0
CB B:PHE143 4.7 41.3 1.0
CD B:ARG133 4.8 44.5 1.0
CA B:LEU142 4.9 44.9 1.0
C B:GLN144 4.9 40.3 1.0
O B:GLY141 4.9 46.4 1.0
C B:ALA134 5.0 43.9 1.0

Chlorine binding site 8 out of 8 in 3c50

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Chlorine binding site 8 out of 8 in the Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of G Protein Coupled Receptor Kinase 1 Bound to Adp and Magnesium Chloride at 2.6A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl569

b:42.4
occ:1.00
 NH1 B:ARG390 3.1 36.4 1.0
N B:VAL396 3.3 35.5 1.0
CA B:LYS395 3.6 35.6 1.0
O B:VAL396 3.8 35.4 1.0
C B:LYS395 3.9 35.4 1.0
CD B:ARG390 4.1 35.5 1.0
CB B:LYS395 4.1 35.6 1.0
O B:GLU394 4.2 35.2 1.0
CG2 B:VAL396 4.3 34.4 1.0
CZ B:ARG390 4.3 35.5 1.0
CG B:LYS395 4.3 36.2 1.0
CA B:VAL396 4.3 35.8 1.0
C B:VAL396 4.5 36.0 1.0
NE B:ARG390 4.7 35.5 1.0
N B:LYS395 4.7 35.8 1.0
O B:HOH658 4.8 41.5 1.0
C B:GLU394 4.9 35.9 1.0
CD2 B:LEU401 4.9 37.5 1.0
CB B:VAL396 4.9 35.5 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 16:51:18 2024

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