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Magnesium 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:

Chlorine (Cl) 8 atoms

Magnesium Binding Sites:

The binding sites of Magnesium 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 Magnesium atom.
In total 4 binding sites of Magnesium 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 Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 3c50

Go back to Magnesium Binding Sites List in 3c50
Magnesium binding site 1 out of 4 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 Magnesium with other atoms in the Mg 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:Mg563

b:43.9
occ:1.00
 O3B A:ADP562 1.6 34.3 1.0
OD2 A:ASP332 2.0 37.4 1.0
O A:HOH585 2.1 33.8 1.0
O A:HOH699 2.1 29.8 1.0
O2A A:ADP562 2.1 33.7 1.0
O A:HOH584 2.3 28.7 1.0
PB A:ADP562 2.9 35.9 1.0
CG A:ASP332 3.1 35.2 1.0
PA A:ADP562 3.1 36.8 1.0
O3A A:ADP562 3.3 35.3 1.0
O A:HOH587 3.5 21.0 1.0
O2B A:ADP562 3.6 35.5 1.0
OD1 A:ASP332 3.8 34.2 1.0
CB A:ASP332 4.1 35.3 1.0
O1B A:ADP562 4.1 35.8 1.0
OD1 A:ASN319 4.2 33.8 1.0
O1A A:ADP562 4.2 36.9 1.0
O5' A:ADP562 4.2 35.8 1.0
O A:HOH583 4.3 35.4 1.0
MG A:MG564 4.3 32.9 1.0
C5' A:ADP562 4.4 36.2 1.0
O A:HOH679 4.4 55.7 1.0
O3' A:ADP562 4.5 34.3 1.0
C3' A:ADP562 4.9 34.4 1.0

Magnesium binding site 2 out of 4 in 3c50

Go back to Magnesium Binding Sites List in 3c50
Magnesium binding site 2 out of 4 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 Magnesium with other atoms in the Mg 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:Mg564

b:32.9
occ:1.00
 OD1 A:ASP332 1.8 34.2 1.0
O A:HOH587 2.0 21.0 1.0
O A:HOH586 2.0 21.0 1.0
O A:HOH589 2.0 26.4 1.0
O A:HOH588 2.0 27.0 1.0
O2B A:ADP562 2.2 35.5 1.0
CG A:ASP332 2.9 35.2 1.0
PB A:ADP562 3.4 35.9 1.0
OD2 A:ASP332 3.4 37.4 1.0
O A:HOH655 3.7 46.3 1.0
O3B A:ADP562 3.7 34.3 1.0
O A:HOH617 3.9 38.8 1.0
O A:HOH671 3.9 35.4 1.0
O A:HOH702 4.0 44.1 1.0
NZ A:LYS216 4.1 38.1 1.0
N A:GLY334 4.1 35.4 1.0
CB A:ASP332 4.2 35.3 1.0
OE2 A:GLU235 4.3 38.4 1.0
O A:HOH672 4.3 41.9 1.0
CA A:GLY334 4.3 35.7 1.0
MG A:MG563 4.3 43.9 1.0
O1B A:ADP562 4.3 35.8 1.0
CA A:ASP332 4.4 35.0 1.0
C A:ASP332 4.5 35.1 1.0
O3A A:ADP562 4.5 35.3 1.0
O A:HOH679 4.7 55.7 1.0
O A:ASP332 4.8 35.4 1.0
N A:LEU333 4.8 35.2 1.0

Magnesium binding site 3 out of 4 in 3c50

Go back to Magnesium Binding Sites List in 3c50
Magnesium binding site 3 out of 4 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 Magnesium with other atoms in the Mg 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
B:Mg563

b:53.3
occ:1.00
 O B:HOH584 1.8 39.7 1.0
O2A B:ADP562 1.8 36.3 1.0
O B:HOH691 1.8 30.0 1.0
O3B B:ADP562 1.9 31.5 1.0
OD2 B:ASP332 2.1 34.6 1.0
O B:HOH583 2.2 28.3 1.0
PA B:ADP562 3.0 36.8 1.0
PB B:ADP562 3.1 32.1 1.0
CG B:ASP332 3.2 34.0 1.0
O3A B:ADP562 3.3 34.0 1.0
O2B B:ADP562 3.7 31.2 1.0
O B:HOH586 3.7 21.1 1.0
OD1 B:ASP332 3.9 32.6 1.0
O5' B:ADP562 4.0 35.6 1.0
O1A B:ADP562 4.1 38.5 1.0
O B:HOH582 4.1 37.9 1.0
OD1 B:ASN319 4.1 35.7 1.0
CB B:ASP332 4.1 34.2 1.0
O3' B:ADP562 4.1 36.2 1.0
C5' B:ADP562 4.2 36.5 1.0
O1B B:ADP562 4.3 28.4 1.0
C3' B:ADP562 4.6 35.5 1.0
MG B:MG564 4.7 32.1 1.0
C4' B:ADP562 5.0 35.9 1.0

Magnesium binding site 4 out of 4 in 3c50

Go back to Magnesium Binding Sites List in 3c50
Magnesium binding site 4 out of 4 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 Magnesium with other atoms in the Mg 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:Mg564

b:32.1
occ:1.00
 O B:HOH585 1.9 23.5 1.0
O B:HOH587 2.0 29.5 1.0
O2B B:ADP562 2.0 31.2 1.0
O B:HOH588 2.0 26.2 1.0
OD1 B:ASP332 2.0 32.6 1.0
O B:HOH586 2.1 21.1 1.0
CG B:ASP332 3.2 34.0 1.0
PB B:ADP562 3.3 32.1 1.0
O B:HOH669 3.4 34.1 1.0
OD2 B:ASP332 3.7 34.6 1.0
O B:HOH671 3.8 50.9 1.0
O3B B:ADP562 3.8 31.5 1.0
NZ B:LYS216 3.8 36.1 1.0
O B:HOH670 4.0 40.9 1.0
O B:HOH650 4.0 43.9 1.0
O B:HOH615 4.1 42.0 1.0
N B:GLY334 4.1 35.7 1.0
O1B B:ADP562 4.2 28.4 1.0
O B:HOH651 4.2 47.2 1.0
CA B:GLY334 4.2 36.0 1.0
CB B:ASP332 4.4 34.2 1.0
OE2 B:GLU235 4.4 36.4 1.0
O3A B:ADP562 4.4 34.0 1.0
CA B:ASP332 4.5 34.3 1.0
C B:ASP332 4.6 34.1 1.0
O1A B:ADP562 4.7 38.5 1.0
MG B:MG563 4.7 53.3 1.0
N B:LEU333 4.9 34.8 1.0
O B:HOH584 4.9 39.7 1.0
PA B:ADP562 4.9 36.8 1.0
O B:ASP332 4.9 33.9 1.0
CE B:LYS216 5.0 36.6 1.0
CD B:GLU235 5.0 37.7 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 Aug 14 09:26:45 2024

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