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

Go back to Magnesium Binding Sites List in 6zhh
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

Go back to Magnesium Binding Sites List in 6zhh
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

Go back to Magnesium Binding Sites List in 6zhh
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

Go back to Magnesium Binding Sites List in 6zhh
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

Go back to Magnesium Binding Sites List in 6zhh
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

Go back to Magnesium Binding Sites List in 6zhh
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

Go back to Magnesium Binding Sites List in 6zhh
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

Go back to Magnesium Binding Sites List in 6zhh
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: Sun Jul 11 15:05:01 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy