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Magnesium in PDB 6zhh: CA2+-Atpase From Listeria Monocytogenes with G4 Insertion.

Protein crystallography data

The structure of CA2+-Atpase From Listeria Monocytogenes with G4 Insertion., PDB code: 6zhh was solved by S.Basse Hansen, M.Dyla, C.Neumann, E.M.H.Quistgaard, J.Lauwring Andersen, M.Kjaergaard, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.58 / 3.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 74.062, 188.499, 350.007, 90, 91.94, 90
R / Rfree (%) 25.5 / 28.5

Other elements in 6zhh:

The structure of CA2+-Atpase From Listeria Monocytogenes with G4 Insertion. also contains other interesting chemical elements:

Fluorine (F) 24 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the CA2+-Atpase From Listeria Monocytogenes with G4 Insertion. (pdb code 6zhh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the CA2+-Atpase From Listeria Monocytogenes with G4 Insertion., PDB code: 6zhh:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 6zhh

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Magnesium binding site 1 out of 8 in the CA2+-Atpase From Listeria Monocytogenes with G4 Insertion.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of CA2+-Atpase From Listeria Monocytogenes with G4 Insertion. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1002

b:44.2
occ:1.00
F2 A:BEF1001 1.8 46.5 1.0
OD2 A:ASP334 2.0 52.8 1.0
O A:THR336 2.0 67.2 1.0
OD1 A:ASP623 2.0 38.5 1.0
O A:HOH1102 2.0 72.7 1.0
O A:HOH1101 2.2 76.6 1.0
BE A:BEF1001 3.0 46.1 1.0
CG A:ASP334 3.0 50.4 1.0
CG A:ASP623 3.1 36.7 1.0
C A:THR336 3.2 35.6 1.0
OD1 A:ASP334 3.4 61.3 1.0
OD2 A:ASP623 3.5 59.8 1.0
O A:GLY166 4.0 55.7 1.0
F1 A:BEF1001 4.0 46.8 1.0
CA A:THR336 4.1 39.3 1.0
F3 A:BEF1001 4.1 64.0 1.0
OD2 A:ASP627 4.1 45.9 1.0
CB A:THR336 4.2 38.4 1.0
N A:THR336 4.2 54.5 1.0
N A:GLY337 4.2 34.3 1.0
CA A:GLY166 4.3 51.1 1.0
CB A:ASP334 4.3 44.9 1.0
CB A:ASP623 4.4 34.7 1.0
CA A:GLY337 4.4 33.9 1.0
C A:GLY166 4.6 50.4 1.0
OG1 A:THR338 4.6 41.3 1.0
ND2 A:ASN626 4.7 58.7 1.0
N A:ASP623 4.7 38.1 1.0
C A:LYS335 4.7 45.8 1.0
N A:GLY624 4.7 27.5 1.0
N A:THR338 4.8 38.7 1.0
C A:ASP623 4.8 45.2 1.0
CG2 A:THR336 4.9 42.1 1.0
CA A:ASP623 4.9 40.1 1.0
C A:GLY337 4.9 37.3 1.0
O A:LYS335 5.0 29.7 1.0

Magnesium binding site 2 out of 8 in 6zhh

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Magnesium binding site 2 out of 8 in the CA2+-Atpase From Listeria Monocytogenes with G4 Insertion.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of CA2+-Atpase From Listeria Monocytogenes with G4 Insertion. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1002

b:44.7
occ:1.00
F2 B:BEF1001 1.8 48.0 1.0
O B:HOH1102 2.0 70.4 1.0
OD2 B:ASP334 2.0 54.4 1.0
OD1 B:ASP623 2.1 56.7 1.0
O B:THR336 2.1 44.4 1.0
O B:HOH1101 2.2 88.5 1.0
BE B:BEF1001 2.9 48.1 1.0
CG B:ASP334 3.0 30.1 1.0
CG B:ASP623 3.2 39.0 1.0
OD1 B:ASP334 3.3 63.2 1.0
C B:THR336 3.3 34.2 1.0
OD2 B:ASP623 3.7 62.8 1.0
F3 B:BEF1001 3.9 47.7 1.0
OD2 B:ASP627 3.9 62.5 1.0
O B:GLY166 4.0 61.1 1.0
F1 B:BEF1001 4.0 57.2 1.0
CA B:THR336 4.2 34.2 1.0
CA B:GLY166 4.3 38.5 1.0
OG1 B:THR338 4.3 70.9 1.0
CB B:THR336 4.3 35.5 1.0
CB B:ASP334 4.3 24.4 1.0
N B:GLY337 4.3 37.6 1.0
N B:THR336 4.3 43.7 1.0
CA B:GLY337 4.5 45.8 1.0
CB B:ASP623 4.5 37.2 1.0
N B:GLY624 4.6 26.9 1.0
C B:GLY166 4.6 49.4 1.0
N B:ASP623 4.7 36.1 1.0
C B:ASP623 4.8 43.7 1.0
N B:THR338 4.8 39.2 1.0
C B:LYS335 4.9 52.5 1.0
ND2 B:ASN626 4.9 46.8 1.0
CA B:ASP623 4.9 33.1 1.0
C B:GLY337 4.9 36.7 1.0
CG B:ASP627 5.0 56.4 1.0

Magnesium binding site 3 out of 8 in 6zhh

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Magnesium binding site 3 out of 8 in the CA2+-Atpase From Listeria Monocytogenes with G4 Insertion.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of CA2+-Atpase From Listeria Monocytogenes with G4 Insertion. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1002

b:64.1
occ:1.00
F3 C:BEF1001 1.8 86.7 1.0
OD2 C:ASP334 1.9 105.7 1.0
O C:HOH1102 2.0 97.1 1.0
O C:HOH1101 2.0 87.4 1.0
OD1 C:ASP623 2.0 91.3 1.0
O C:THR336 2.1 90.1 1.0
CG C:ASP334 3.0 93.1 1.0
BE C:BEF1001 3.1 84.2 1.0
CG C:ASP623 3.1 81.5 1.0
C C:THR336 3.3 77.9 1.0
OD1 C:ASP334 3.4 114.9 1.0
OD2 C:ASP623 3.6 92.4 1.0
OD2 C:ASP627 3.8 68.7 1.0
F1 C:BEF1001 4.0 86.8 1.0
CA C:THR336 4.1 67.5 1.0
F2 C:BEF1001 4.1 84.3 1.0
O C:GLY166 4.2 76.6 1.0
CB C:THR336 4.2 77.7 1.0
ND2 C:ASN626 4.2 61.4 1.0
CB C:ASP334 4.2 52.0 1.0
N C:THR336 4.3 71.1 1.0
CA C:GLY166 4.3 78.5 1.0
N C:GLY337 4.3 78.5 1.0
CB C:ASP623 4.4 71.3 1.0
N C:GLY624 4.4 53.0 1.0
OG1 C:THR338 4.5 72.1 1.0
N C:ASP623 4.6 54.4 1.0
CA C:GLY337 4.6 79.4 1.0
C C:ASP623 4.7 58.3 1.0
C C:GLY166 4.7 74.0 1.0
CA C:ASP623 4.8 56.9 1.0
C C:LYS335 4.8 79.5 1.0
CG C:ASP627 4.8 65.4 1.0
N C:THR338 4.9 64.3 1.0
CA C:GLY624 4.9 52.9 1.0
CG2 C:THR336 4.9 87.7 1.0

Magnesium binding site 4 out of 8 in 6zhh

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Magnesium binding site 4 out of 8 in the CA2+-Atpase From Listeria Monocytogenes with G4 Insertion.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of CA2+-Atpase From Listeria Monocytogenes with G4 Insertion. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1002

b:54.0
occ:1.00
F1 D:BEF1001 1.8 75.9 1.0
O D:THR336 1.9 94.8 1.0
OD2 D:ASP334 2.0 97.2 1.0
OD1 D:ASP623 2.1 69.5 1.0
O D:HOH1102 2.2 68.6 1.0
O D:HOH1101 2.2 79.0 1.0
CG D:ASP334 3.1 66.8 1.0
BE D:BEF1001 3.1 71.9 1.0
CG D:ASP623 3.1 64.1 1.0
C D:THR336 3.1 83.2 1.0
OD1 D:ASP334 3.5 109.3 1.0
OD2 D:ASP623 3.5 68.1 1.0
OD2 D:ASP627 3.9 78.5 1.0
O D:GLY166 3.9 88.1 1.0
CA D:THR336 4.0 69.6 1.0
F3 D:BEF1001 4.0 70.9 1.0
CB D:THR336 4.1 70.8 1.0
N D:GLY337 4.1 79.4 1.0
N D:THR336 4.2 67.9 1.0
F2 D:BEF1001 4.2 87.6 1.0
CB D:ASP334 4.3 51.8 1.0
CA D:GLY337 4.4 79.1 1.0
CB D:ASP623 4.4 60.5 1.0
CA D:GLY166 4.5 80.0 1.0
OG1 D:THR338 4.5 61.6 1.0
C D:GLY166 4.6 79.9 1.0
N D:ASP623 4.6 52.8 1.0
N D:GLY624 4.7 48.4 1.0
CG2 D:THR336 4.7 79.0 1.0
N D:THR338 4.7 73.9 1.0
C D:LYS335 4.8 64.3 1.0
C D:ASP623 4.8 54.7 1.0
CA D:ASP623 4.8 54.7 1.0
C D:GLY337 4.9 67.7 1.0
O D:LYS335 5.0 66.4 1.0
CG D:ASP627 5.0 73.6 1.0

Magnesium binding site 5 out of 8 in 6zhh

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Magnesium binding site 5 out of 8 in the CA2+-Atpase From Listeria Monocytogenes with G4 Insertion.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of CA2+-Atpase From Listeria Monocytogenes with G4 Insertion. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg1002

b:218.2
occ:1.00
F1 E:BEF1001 1.8 227.8 1.0
OD2 E:ASP334 1.8 368.0 1.0
O E:HOH1102 2.0 228.8 1.0
OD1 E:ASP623 2.0 282.5 1.0
O E:HOH1101 2.1 226.8 1.0
O E:THR336 2.1 323.1 1.0
CG E:ASP334 2.7 301.9 1.0
OD1 E:ASP334 3.1 358.4 1.0
CG E:ASP623 3.2 238.6 1.0
BE E:BEF1001 3.2 224.5 1.0
C E:THR336 3.3 237.8 1.0
OD2 E:ASP623 3.7 258.8 1.0
OD2 E:ASP627 3.8 177.1 1.0
CB E:ASP334 4.0 213.1 1.0
F2 E:BEF1001 4.1 224.2 1.0
CA E:THR336 4.2 207.2 1.0
F3 E:BEF1001 4.2 225.9 1.0
N E:THR336 4.2 192.4 1.0
N E:GLY337 4.3 200.5 1.0
CB E:THR336 4.4 203.8 1.0
CB E:ASP623 4.4 201.4 1.0
OG1 E:THR338 4.5 175.2 1.0
O E:GLY166 4.5 197.3 1.0
N E:ASP623 4.5 181.2 1.0
N E:GLY624 4.5 186.3 1.0
CA E:GLY337 4.6 189.8 1.0
CA E:GLY166 4.6 191.3 1.0
CG E:ASP627 4.7 176.8 1.0
C E:LYS335 4.7 180.3 1.0
C E:ASP623 4.8 184.6 1.0
OD1 E:ASN626 4.8 190.3 1.0
CA E:ASP623 4.8 186.9 1.0
OD1 E:ASP627 4.8 178.1 1.0
N E:THR338 4.8 184.7 1.0
C E:GLY166 5.0 191.8 1.0
O E:LYS335 5.0 180.4 1.0

Magnesium binding site 6 out of 8 in 6zhh

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Magnesium binding site 6 out of 8 in the CA2+-Atpase From Listeria Monocytogenes with G4 Insertion.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of CA2+-Atpase From Listeria Monocytogenes with G4 Insertion. within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg1002

b:182.5
occ:1.00
F1 F:BEF1001 1.7 213.8 1.0
OD2 F:ASP334 1.9 311.0 1.0
O F:THR336 2.0 290.7 1.0
O F:HOH1102 2.1 191.6 1.0
O F:HOH1101 2.2 195.0 1.0
OD1 F:ASP623 2.2 301.1 1.0
CG F:ASP334 2.9 260.2 1.0
BE F:BEF1001 3.1 209.4 1.0
C F:THR336 3.3 213.2 1.0
OD1 F:ASP334 3.3 313.8 1.0
CG F:ASP623 3.3 205.2 1.0
OD2 F:ASP623 3.8 211.8 1.0
F2 F:BEF1001 4.0 207.4 1.0
CA F:THR336 4.1 187.4 1.0
O F:GLY166 4.1 187.4 1.0
CB F:ASP334 4.2 196.0 1.0
F3 F:BEF1001 4.2 206.6 1.0
N F:THR336 4.2 183.7 1.0
CB F:THR336 4.2 182.0 1.0
OD2 F:ASP627 4.3 178.0 1.0
N F:GLY337 4.3 187.5 1.0
CA F:GLY166 4.4 175.2 1.0
CA F:GLY337 4.5 184.5 1.0
CB F:ASP623 4.6 178.2 1.0
OG1 F:THR338 4.6 173.2 1.0
N F:GLY624 4.7 180.0 1.0
C F:LYS335 4.7 184.1 1.0
C F:GLY166 4.7 174.3 1.0
N F:ASP623 4.7 176.4 1.0
C F:ASP623 4.9 176.8 1.0
OD1 F:ASN626 4.9 184.7 1.0
N F:THR338 4.9 180.4 1.0
CA F:ASP623 5.0 175.4 1.0
CG2 F:THR336 5.0 184.3 1.0
O F:LYS335 5.0 177.2 1.0

Magnesium binding site 7 out of 8 in 6zhh

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Magnesium binding site 7 out of 8 in the CA2+-Atpase From Listeria Monocytogenes with G4 Insertion.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of CA2+-Atpase From Listeria Monocytogenes with G4 Insertion. within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg1002

b:213.1
occ:1.00
F1 G:BEF1001 1.8 203.3 1.0
OD2 G:ASP334 1.9 346.2 1.0
OD1 G:ASP623 2.0 258.1 1.0
O G:THR336 2.0 304.8 1.0
O G:HOH1102 2.2 212.1 1.0
O G:HOH1101 2.4 203.6 1.0
BE G:BEF1001 2.9 200.1 1.0
CG G:ASP334 3.0 248.9 1.0
CG G:ASP623 3.0 213.2 1.0
C G:THR336 3.2 217.1 1.0
OD2 G:ASP623 3.4 227.8 1.0
OD1 G:ASP334 3.4 346.1 1.0
F3 G:BEF1001 3.8 198.7 1.0
O G:GLY166 4.1 149.7 1.0
CA G:THR336 4.1 182.2 1.0
F2 G:BEF1001 4.1 202.4 1.0
N G:GLY337 4.2 177.9 1.0
OD2 G:ASP627 4.2 175.4 1.0
N G:THR336 4.2 169.2 1.0
CB G:ASP334 4.2 205.4 1.0
CB G:THR336 4.3 172.4 1.0
OG1 G:THR338 4.3 171.9 1.0
CB G:ASP623 4.3 184.3 1.0
CA G:GLY337 4.3 165.6 1.0
CA G:GLY166 4.4 159.4 1.0
C G:LYS335 4.6 167.0 1.0
N G:THR338 4.6 164.3 1.0
C G:GLY166 4.7 154.1 1.0
N G:GLY624 4.7 163.3 1.0
N G:ASP623 4.7 162.6 1.0
C G:ASP623 4.7 164.3 1.0
O G:LYS335 4.8 166.1 1.0
C G:GLY337 4.8 178.7 1.0
CA G:ASP623 4.8 168.0 1.0

Magnesium binding site 8 out of 8 in 6zhh

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Magnesium binding site 8 out of 8 in the CA2+-Atpase From Listeria Monocytogenes with G4 Insertion.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of CA2+-Atpase From Listeria Monocytogenes with G4 Insertion. within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg1002

b:225.8
occ:1.00
F1 H:BEF1001 1.7 232.3 1.0
OD2 H:ASP334 1.8 317.7 1.0
O H:THR336 2.1 300.2 1.0
OD1 H:ASP623 2.1 264.0 1.0
O H:HOH1101 2.3 222.8 1.0
O H:HOH1102 2.3 230.9 1.0
CG H:ASP334 2.8 260.3 1.0
BE H:BEF1001 3.1 229.7 1.0
OD1 H:ASP334 3.2 318.2 1.0
CG H:ASP623 3.2 216.5 1.0
C H:THR336 3.3 206.7 1.0
OD2 H:ASP623 3.6 239.8 1.0
OD2 H:ASP627 3.7 171.7 1.0
O H:GLY166 3.8 191.6 1.0
CA H:GLY166 3.9 192.1 1.0
CB H:ASP334 4.1 185.7 1.0
F3 H:BEF1001 4.1 228.6 1.0
F2 H:BEF1001 4.1 228.7 1.0
CA H:THR336 4.2 168.9 1.0
N H:GLY337 4.2 178.9 1.0
C H:GLY166 4.3 190.4 1.0
N H:THR336 4.4 157.0 1.0
CA H:GLY337 4.4 168.2 1.0
CB H:THR336 4.4 168.5 1.0
CB H:ASP623 4.5 172.1 1.0
CG H:ASP627 4.7 170.9 1.0
N H:GLY624 4.8 171.7 1.0
N H:ASP623 4.9 173.2 1.0
C H:LYS335 4.9 157.4 1.0
C H:ASP623 5.0 172.4 1.0

Reference:

S.Basse Hansen, M.Dyla, C.Neumann, E.Meldgaard Hoegh Quistgaard, J.Lauwring Andersen, M.Kjaergaard, P.Nissen. The Crystal Structure of the Ca 2+ -Atpase 1 From Listeria Monocytogenes Reveals A Pump Primed For Dephosphorylation. J.Mol.Biol. 67015 2021.
ISSN: ESSN 1089-8638
PubMed: 33933469
DOI: 10.1016/J.JMB.2021.167015
Page generated: Wed Oct 2 02:18:58 2024

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