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Magnesium in PDB 3qc9: Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg

Enzymatic activity of Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg

All present enzymatic activity of Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg:
2.7.11.14;

Protein crystallography data

The structure of Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg, PDB code: 3qc9 was solved by C.-C.Huang, J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.60 / 2.70
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 58.696, 89.965, 122.638, 88.07, 90.26, 68.78
R / Rfree (%) 19.2 / 22.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg (pdb code 3qc9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg, PDB code: 3qc9:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 3qc9

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Magnesium binding site 1 out of 8 in the Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg


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 Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg800

b:23.1
occ:1.00
 O A:HOH545 2.1 30.8 1.0
O A:HOH547 2.2 36.2 1.0
O A:HOH546 2.2 53.4 1.0
OD2 A:ASP332 2.3 24.6 1.0
O3B A:ADP700 2.4 33.5 1.0
O2A A:ADP700 2.5 31.8 1.0
CG A:ASP332 3.5 44.2 1.0
OD1 A:ASN319 3.7 31.9 1.0
PB A:ADP700 3.7 46.0 1.0
PA A:ADP700 3.8 44.1 1.0
O A:HOH548 3.8 25.8 1.0
O3A A:ADP700 4.1 42.5 1.0
O3' A:ADP700 4.1 53.9 1.0
OD1 A:ASP332 4.3 39.5 1.0
O2B A:ADP700 4.4 25.7 1.0
CB A:ASP332 4.4 33.1 1.0
C5' A:ADP700 4.5 29.4 1.0
O5' A:ADP700 4.6 40.1 1.0
C3' A:ADP700 4.6 41.6 1.0
CG A:ASN319 4.9 33.7 1.0
O1A A:ADP700 4.9 31.9 1.0
O1B A:ADP700 4.9 41.5 1.0

Magnesium binding site 2 out of 8 in 3qc9

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Magnesium binding site 2 out of 8 in the Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg


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 Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg801

b:28.8
occ:1.00
 O A:HOH548 2.2 25.8 1.0
O A:HOH550 2.2 41.7 1.0
O A:HOH549 2.2 37.7 1.0
O A:HOH551 2.2 35.0 1.0
OD1 A:ASP332 2.6 39.5 1.0
O2B A:ADP700 2.6 25.7 1.0
CG A:ASP332 3.7 44.2 1.0
N A:GLY334 3.8 25.3 1.0
PB A:ADP700 3.9 46.0 1.0
CA A:GLY334 3.9 28.7 1.0
OD2 A:ASP332 4.2 24.6 1.0
O3B A:ADP700 4.4 33.5 1.0
O1B A:ADP700 4.5 41.5 1.0
N A:LEU333 4.8 29.1 1.0
C A:GLY334 4.8 36.4 1.0
NZ A:LYS216 4.8 39.1 1.0
CB A:ASP332 5.0 33.1 1.0
C A:ASP332 5.0 36.4 1.0

Magnesium binding site 3 out of 8 in 3qc9

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Magnesium binding site 3 out of 8 in the Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg


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 Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg800

b:43.5
occ:1.00
 O B:HOH545 2.2 53.0 1.0
O B:HOH547 2.2 57.6 1.0
O B:HOH546 2.2 57.9 1.0
O2A B:ADP700 2.3 46.7 1.0
OD2 B:ASP332 2.4 38.5 1.0
O3B B:ADP700 2.4 40.8 1.0
PA B:ADP700 3.6 51.9 1.0
CG B:ASP332 3.6 50.6 1.0
OD1 B:ASN319 3.7 36.7 1.0
PB B:ADP700 3.7 52.0 1.0
O3A B:ADP700 3.8 39.4 1.0
O3' B:ADP700 3.9 55.6 1.0
C5' B:ADP700 4.1 38.4 1.0
O B:HOH548 4.1 42.4 1.0
O5' B:ADP700 4.2 50.6 1.0
CB B:ASP332 4.5 40.2 1.0
OD1 B:ASP332 4.5 45.7 1.0
C3' B:ADP700 4.5 53.2 1.0
O2B B:ADP700 4.5 40.6 1.0
C4' B:ADP700 4.8 59.8 1.0
O1A B:ADP700 4.8 50.5 1.0
O1B B:ADP700 4.9 46.3 1.0
CG B:ASN319 4.9 39.5 1.0

Magnesium binding site 4 out of 8 in 3qc9

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Magnesium binding site 4 out of 8 in the Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg


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 Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg801

b:51.5
occ:1.00
 O B:HOH551 2.2 48.8 1.0
O B:HOH548 2.2 42.4 1.0
O B:HOH550 2.2 50.7 1.0
O B:HOH549 2.2 37.3 1.0
OD1 B:ASP332 2.3 45.7 1.0
O2B B:ADP700 2.6 40.6 1.0
CG B:ASP332 3.5 50.6 1.0
N B:GLY334 3.6 34.1 1.0
CA B:GLY334 3.8 34.8 1.0
PB B:ADP700 4.0 52.0 1.0
OD2 B:ASP332 4.0 38.5 1.0
O3B B:ADP700 4.4 40.8 1.0
N B:LEU333 4.5 33.2 1.0
C B:ASP332 4.7 39.2 1.0
C B:GLY334 4.7 42.1 1.0
CB B:ASP332 4.7 40.2 1.0
N B:LEU335 4.8 29.4 1.0
C B:LEU333 4.8 38.4 1.0
CA B:ASP332 4.8 36.8 1.0
O1B B:ADP700 4.9 46.3 1.0

Magnesium binding site 5 out of 8 in 3qc9

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Magnesium binding site 5 out of 8 in the Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg800

b:29.1
occ:1.00
 O C:HOH545 2.2 49.5 1.0
O C:HOH546 2.2 31.7 1.0
O2A C:ADP700 2.3 35.1 1.0
OD2 C:ASP332 2.3 31.7 1.0
O3B C:ADP700 2.5 30.0 1.0
CG C:ASP332 3.6 48.4 1.0
PA C:ADP700 3.6 53.5 1.0
PB C:ADP700 3.8 48.2 1.0
OD1 C:ASN319 3.8 35.1 1.0
O C:HOH547 3.9 33.9 1.0
O3' C:ADP700 4.0 65.5 1.0
O3A C:ADP700 4.0 43.8 1.0
C5' C:ADP700 4.1 40.0 1.0
O2B C:ADP700 4.3 30.6 1.0
O5' C:ADP700 4.4 35.2 1.0
OD1 C:ASP332 4.4 43.6 1.0
CB C:ASP332 4.5 35.4 1.0
C3' C:ADP700 4.5 48.4 1.0
O1A C:ADP700 4.8 44.7 1.0
C4' C:ADP700 4.8 32.0 1.0

Magnesium binding site 6 out of 8 in 3qc9

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Magnesium binding site 6 out of 8 in the Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg801

b:38.4
occ:1.00
 O C:HOH549 2.2 40.3 1.0
O C:HOH547 2.2 33.9 1.0
O C:HOH548 2.2 45.0 1.0
O C:HOH550 2.2 39.4 1.0
OD1 C:ASP332 2.5 43.6 1.0
O2B C:ADP700 2.6 30.6 1.0
CG C:ASP332 3.6 48.4 1.0
N C:GLY334 3.8 23.9 1.0
PB C:ADP700 3.9 48.2 1.0
CA C:GLY334 4.0 27.8 1.0
OD2 C:ASP332 4.1 31.7 1.0
O3B C:ADP700 4.3 30.0 1.0
O C:HOH545 4.5 49.5 1.0
O1B C:ADP700 4.5 56.6 1.0
N C:LEU333 4.8 34.5 1.0
C C:GLY334 4.8 35.2 1.0
CB C:ASP332 4.9 35.4 1.0
C C:ASP332 5.0 40.2 1.0

Magnesium binding site 7 out of 8 in 3qc9

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Magnesium binding site 7 out of 8 in the Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg800

b:31.1
occ:1.00
 O D:HOH544 2.2 50.3 1.0
O D:HOH546 2.2 64.0 1.0
O D:HOH545 2.2 32.6 1.0
O2A D:ADP700 2.4 44.8 1.0
OD2 D:ASP332 2.4 36.5 1.0
O3B D:ADP700 2.5 40.0 1.0
PA D:ADP700 3.6 46.6 1.0
CG D:ASP332 3.6 46.9 1.0
PB D:ADP700 3.7 41.7 1.0
O D:HOH547 3.7 38.0 1.0
O3A D:ADP700 3.7 45.7 1.0
OD1 D:ASN319 3.9 34.9 1.0
C5' D:ADP700 4.1 42.4 1.0
O2B D:ADP700 4.2 37.8 1.0
O3' D:ADP700 4.3 53.4 1.0
O5' D:ADP700 4.3 48.9 1.0
OD1 D:ASP332 4.5 46.1 1.0
CB D:ASP332 4.5 36.2 1.0
C3' D:ADP700 4.6 35.6 1.0
O1A D:ADP700 4.8 47.0 1.0
C4' D:ADP700 4.9 41.3 1.0
O1B D:ADP700 5.0 45.6 1.0

Magnesium binding site 8 out of 8 in 3qc9

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Magnesium binding site 8 out of 8 in the Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of Cross-Linked Bovine GRK1 T8C/N480C Double Mutant Complexed with Adp and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg801

b:44.6
occ:1.00
 O D:HOH550 2.2 49.3 1.0
O D:HOH549 2.2 43.0 1.0
O D:HOH547 2.2 38.0 1.0
O D:HOH548 2.2 52.3 1.0
OD1 D:ASP332 2.4 46.1 1.0
O2B D:ADP700 2.6 37.8 1.0
CG D:ASP332 3.5 46.9 1.0
PB D:ADP700 3.7 41.7 1.0
OD2 D:ASP332 3.9 36.5 1.0
N D:GLY334 4.0 32.2 1.0
CA D:GLY334 4.1 31.7 1.0
O3B D:ADP700 4.1 40.0 1.0
O1B D:ADP700 4.3 45.6 1.0
CB D:ASP332 4.8 36.2 1.0
N D:LEU333 4.8 37.7 1.0
NZ D:LYS216 4.9 45.1 1.0
C D:ASP332 4.9 38.7 1.0
CA D:ASP332 5.0 31.4 1.0

Reference:

C.C.Huang, T.Orban, B.Jastrzebska, K.Palczewski, J.J.Tesmer. Activation of G Protein-Coupled Receptor Kinase 1 Involves Interactions Between Its N-Terminal Region and Its Kinase Domain. Biochemistry V. 50 1940 2011.
ISSN: ISSN 0006-2960
PubMed: 21265573
DOI: 10.1021/BI101606E
Page generated: Thu Aug 15 10:01:49 2024

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