Atomistry » Magnesium » PDB 521p-5a98 » 5a3s
Atomistry »
  Magnesium »
    PDB 521p-5a98 »
      5a3s »

Magnesium in PDB 5a3s: Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp

Enzymatic activity of Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp

All present enzymatic activity of Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp:
3.6.3.8;

Protein crystallography data

The structure of Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp, PDB code: 5a3s was solved by J.D.Clausen, M.Bublitz, B.Arnou, C.Olesen, J.P.Andersen, J.V.Moller, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 78.91 / 3.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 130.556, 93.778, 135.692, 90.00, 107.26, 90.00
R / Rfree (%) 21.1 / 24.5

Other elements in 5a3s:

The structure of Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp also contains other interesting chemical elements:

Potassium (K) 2 atoms
Vanadium (V) 2 atoms
Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp (pdb code 5a3s). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp, PDB code: 5a3s:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5a3s

Go back to Magnesium Binding Sites List in 5a3s
Magnesium binding site 1 out of 4 in the Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp


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 the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1003

b:92.8
occ:1.00
O A:HOH2001 1.9 0.6 1.0
OD2 A:ASP351 2.0 0.5 1.0
O A:HOH2003 2.0 1.0 1.0
O A:THR353 2.0 68.1 1.0
OD1 A:ASP703 2.1 83.7 1.0
O2 A:VN41001 2.1 1.0 1.0
CG A:ASP351 3.1 92.3 1.0
CG A:ASP703 3.2 84.1 1.0
C A:THR353 3.3 65.3 1.0
V A:VN41001 3.5 95.2 1.0
OD2 A:ASP703 3.6 1.0 1.0
OD1 A:ASP351 3.7 0.7 1.0
O A:GLY182 3.9 64.0 1.0
OD2 A:ASP707 4.0 0.5 1.0
CA A:THR353 4.2 57.7 1.0
N A:GLY354 4.2 66.8 1.0
CB A:ASP351 4.3 68.9 1.0
CB A:THR353 4.3 65.4 1.0
CA A:GLY354 4.3 66.7 1.0
N A:GLY704 4.3 69.2 1.0
N A:THR353 4.4 67.8 1.0
CB A:ASP703 4.4 70.7 1.0
CG2 A:THR353 4.5 58.4 1.0
N A:ASP703 4.5 62.4 1.0
O1 A:VN41001 4.5 1.0 1.0
O3 A:VN41001 4.5 85.6 1.0
OG1 A:THR355 4.6 71.2 1.0
N A:THR355 4.7 53.2 1.0
C A:ASP703 4.7 64.6 1.0
CA A:GLY182 4.7 67.4 1.0
CA A:ASP703 4.8 63.4 1.0
C A:GLY354 4.8 62.4 1.0
CA A:GLY704 4.8 89.4 1.0
C A:GLY182 4.8 66.2 1.0
O A:HOH2002 4.9 0.7 1.0

Magnesium binding site 2 out of 4 in 5a3s

Go back to Magnesium Binding Sites List in 5a3s
Magnesium binding site 2 out of 4 in the Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp


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 the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1004

b:0.8
occ:1.00
OD1 A:ASN628 2.1 0.3 1.0
O A:HOH2004 2.2 72.3 1.0
O2B A:1281002 2.2 0.8 1.0
O3G A:1281002 2.4 0.4 1.0
CG A:ASN628 3.2 69.1 1.0
PB A:1281002 3.4 0.1 1.0
PG A:1281002 3.5 0.7 1.0
ND2 A:ASN628 3.7 59.5 1.0
O3B A:1281002 3.7 0.7 1.0
N7 A:1281002 3.8 0.8 1.0
O3A A:1281002 4.0 0.9 1.0
O1G A:1281002 4.1 0.2 1.0
NH1 A:ARG560 4.2 0.4 1.0
C8 A:1281002 4.5 0.1 1.0
CB A:ASN628 4.5 45.5 1.0
C5 A:1281002 4.6 0.2 1.0
N6 A:1281002 4.6 0.5 1.0
O1B A:1281002 4.7 0.8 1.0
CZ A:ARG560 4.8 0.3 1.0
O2G A:1281002 4.8 0.1 1.0
C6 A:1281002 5.0 0.8 1.0

Magnesium binding site 3 out of 4 in 5a3s

Go back to Magnesium Binding Sites List in 5a3s
Magnesium binding site 3 out of 4 in the Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp


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 the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1003

b:0.9
occ:1.00
O B:HOH2001 2.0 91.9 1.0
OD2 B:ASP351 2.1 87.1 1.0
O B:THR353 2.1 93.2 1.0
O B:HOH2003 2.1 98.0 1.0
OD1 B:ASP703 2.1 98.3 1.0
O2 B:VN41001 2.2 0.0 1.0
CG B:ASP703 3.0 92.1 1.0
OD2 B:ASP703 3.2 93.7 1.0
CG B:ASP351 3.2 74.6 1.0
C B:THR353 3.3 78.6 1.0
V B:VN41001 3.6 88.6 1.0
OD2 B:ASP707 3.9 0.1 1.0
OD1 B:ASP351 3.9 65.9 1.0
O B:GLY182 4.1 58.0 1.0
N B:GLY354 4.2 78.3 1.0
CA B:THR353 4.2 82.7 1.0
OG1 B:THR355 4.2 94.1 1.0
CB B:ASP351 4.3 80.2 1.0
CA B:GLY354 4.3 85.5 1.0
CB B:THR353 4.3 81.3 1.0
CB B:ASP703 4.4 89.3 1.0
N B:GLY704 4.4 87.3 1.0
N B:THR353 4.4 90.0 1.0
N B:THR355 4.4 97.9 1.0
O3 B:VN41001 4.5 0.0 1.0
N B:ASP703 4.6 88.2 1.0
O1 B:VN41001 4.7 92.3 1.0
C B:GLY354 4.8 88.3 1.0
CG2 B:THR353 4.8 87.8 1.0
C B:ASP703 4.8 97.6 1.0
CA B:GLY182 4.8 45.5 1.0
CA B:GLY704 4.8 85.1 1.0
CA B:ASP703 4.9 92.3 1.0
C B:GLY182 4.9 47.9 1.0
CG B:ASP707 5.0 91.0 1.0

Magnesium binding site 4 out of 4 in 5a3s

Go back to Magnesium Binding Sites List in 5a3s
Magnesium binding site 4 out of 4 in the Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp


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 the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1004

b:0.3
occ:1.00
OD1 B:ASN628 2.1 1.0 1.0
O B:HOH2004 2.2 0.0 1.0
O2B B:1281002 2.3 0.1 1.0
O3G B:1281002 3.0 0.6 1.0
CG B:ASN628 3.0 0.8 1.0
ND2 B:ASN628 3.3 1.0 1.0
PB B:1281002 3.4 0.2 1.0
N7 B:1281002 3.6 0.7 1.0
O3A B:1281002 3.7 0.9 1.0
PG B:1281002 3.7 0.2 1.0
O3B B:1281002 3.9 0.2 1.0
O1G B:1281002 4.0 0.2 1.0
C8 B:1281002 4.3 0.0 1.0
CB B:ASN628 4.5 89.3 1.0
OD1 B:ASP627 4.5 0.7 1.0
C5 B:1281002 4.6 0.3 1.0
N6 B:1281002 4.6 0.6 1.0
O1B B:1281002 4.8 0.3 1.0
NH1 B:ARG678 5.0 82.8 1.0

Reference:

J.D.Clausen, M.Bublitz, B.Arnou, C.Olesen, J.P.Andersen, J.V.Moller, P.Nissen. Crystal Structure of the Vanadate-Inhibited Ca(2+)-Atpase. Structure V. 24 617 2016.
ISSN: ISSN 0969-2126
PubMed: 27050689
DOI: 10.1016/J.STR.2016.02.018
Page generated: Mon Dec 14 19:59:25 2020

Last articles

Zn in 7M6U
Zn in 7NNG
Zn in 7NEE
Zn in 7NEU
Zn in 7M3K
Zn in 7KWD
Zn in 7KYH
Zn in 7KNG
Zn in 7KY2
Zn in 7KYF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy