Atomistry » Magnesium » PDB 3q89-3qpo » 3qc9
Atomistry »
  Magnesium »
    PDB 3q89-3qpo »
      3qc9 »

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

Go back to Magnesium Binding Sites List in 3qc9
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

Go back to Magnesium Binding Sites List in 3qc9
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

Go back to Magnesium Binding Sites List in 3qc9
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

Go back to Magnesium Binding Sites List in 3qc9
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

Go back to Magnesium Binding Sites List in 3qc9
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

Go back to Magnesium Binding Sites List in 3qc9
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

Go back to Magnesium Binding Sites List in 3qc9
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

Go back to Magnesium Binding Sites List in 3qc9
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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy