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Magnesium 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:

Chlorine (Cl) 3 atoms

Magnesium Binding Sites:

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

Magnesium binding site 1 out of 3 in 3c4w

Go back to Magnesium Binding Sites List in 3c4w
Magnesium 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 Magnesium with other atoms in the Mg 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:Mg564

b:18.7
occ:1.00
 O A:HOH623 1.9 3.7 1.0
O1G A:ATP562 1.9 16.8 1.0
O2B A:ATP562 2.0 15.9 1.0
OD1 A:ASP332 2.1 16.3 1.0
O A:HOH575 2.2 2.0 1.0
O A:HOH621 2.2 2.0 1.0
CG A:ASP332 3.1 20.2 1.0
PB A:ATP562 3.2 14.6 1.0
PG A:ATP562 3.3 13.7 1.0
OD2 A:ASP332 3.4 23.0 1.0
O3B A:ATP562 3.6 18.5 1.0
O A:HOH676 3.7 20.9 1.0
O A:HOH616 4.1 4.8 1.0
O1B A:ATP562 4.1 17.5 1.0
O A:HOH573 4.2 11.0 1.0
O3G A:ATP562 4.2 13.1 1.0
NZ A:LYS216 4.2 16.3 1.0
O2G A:ATP562 4.3 20.4 1.0
CB A:ASP332 4.4 18.8 1.0
O3A A:ATP562 4.4 17.7 1.0
N A:GLY334 4.5 19.5 1.0
O2A A:ATP562 4.5 13.5 1.0
CA A:GLY334 4.6 20.1 1.0
CA A:ASP332 4.7 19.8 1.0
OE2 A:GLU235 4.7 28.3 1.0
PA A:ATP562 4.8 16.2 1.0
C A:ASP332 4.9 20.0 1.0
O1A A:ATP562 4.9 18.4 1.0

Magnesium binding site 2 out of 3 in 3c4w

Go back to Magnesium Binding Sites List in 3c4w
Magnesium 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 Magnesium with other atoms in the Mg 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
B:Mg563

b:49.9
occ:1.00
 O2A B:ATP562 2.2 20.5 1.0
OD2 B:ASP332 2.3 22.1 1.0
OD1 B:ASN319 2.4 19.4 1.0
O B:HOH572 2.6 23.6 1.0
CG B:ASP332 3.4 20.8 1.0
O B:HOH573 3.4 22.9 1.0
CG B:ASN319 3.5 18.8 1.0
PA B:ATP562 3.6 19.8 1.0
CB B:ASP332 3.9 20.1 1.0
O3B B:ATP562 4.0 20.1 1.0
O2G B:ATP562 4.0 25.1 1.0
ND2 B:ASN319 4.1 15.2 1.0
O3' B:ATP562 4.2 22.3 1.0
O3G B:ATP562 4.2 23.3 1.0
O1A B:ATP562 4.3 18.0 1.0
PG B:ATP562 4.4 23.8 1.0
O B:GLU318 4.4 18.6 1.0
OD1 B:ASP332 4.5 21.0 1.0
O5' B:ATP562 4.5 17.2 1.0
C3' B:ATP562 4.5 19.1 1.0
O3A B:ATP562 4.7 22.1 1.0
CG B:GLU318 4.7 20.7 1.0
CB B:ASN319 4.8 15.6 1.0
C5' B:ATP562 4.8 21.3 1.0
CA B:ASN319 4.8 16.8 1.0
PB B:ATP562 4.9 18.7 1.0
C B:GLU318 5.0 18.0 1.0

Magnesium binding site 3 out of 3 in 3c4w

Go back to Magnesium Binding Sites List in 3c4w
Magnesium 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 Magnesium with other atoms in the Mg 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
B:Mg564

b:24.7
occ:1.00
 OD1 B:ASP332 2.2 21.0 1.0
O2B B:ATP562 2.4 13.9 1.0
O2G B:ATP562 2.8 25.1 1.0
O B:HOH602 3.2 25.2 1.0
CG B:ASP332 3.4 20.8 1.0
O1G B:ATP562 3.6 24.8 1.0
PG B:ATP562 3.6 23.8 1.0
PB B:ATP562 3.7 18.7 1.0
OD2 B:ASP332 3.8 22.1 1.0
O B:HOH603 3.9 30.1 1.0
O3B B:ATP562 4.0 20.1 1.0
N B:GLY334 4.2 19.7 1.0
CA B:GLY334 4.2 20.1 1.0
NZ B:LYS216 4.3 19.1 1.0
O1B B:ATP562 4.6 18.1 1.0
CB B:ASP332 4.6 20.1 1.0
CA B:ASP332 4.8 19.8 1.0
OE1 B:GLU235 4.8 32.7 1.0
O3A B:ATP562 4.8 22.1 1.0
C B:ASP332 4.9 19.8 1.0
C B:GLY334 5.0 20.6 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 09:26:29 2024

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