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Calcium in PDB 4xou: Crystal Structure of the Sr CA2+-Atpase in the CA2-E1-Mgamppcp Form Determined By Serial Femtosecond Crystallography Using An X-Ray Free- Electron Laser.

Enzymatic activity of Crystal Structure of the Sr CA2+-Atpase in the CA2-E1-Mgamppcp Form Determined By Serial Femtosecond Crystallography Using An X-Ray Free- Electron Laser.

All present enzymatic activity of Crystal Structure of the Sr CA2+-Atpase in the CA2-E1-Mgamppcp Form Determined By Serial Femtosecond Crystallography Using An X-Ray Free- Electron Laser.:
3.6.3.8;

Protein crystallography data

The structure of Crystal Structure of the Sr CA2+-Atpase in the CA2-E1-Mgamppcp Form Determined By Serial Femtosecond Crystallography Using An X-Ray Free- Electron Laser., PDB code: 4xou was solved by M.Bublitz, K.Nass, N.D.Drachmann, A.J.Markvardsen, M.J.Gutmann, T.R.M.Barends, D.Mattle, R.L.Shoeman, R.B.Doak, S.Boutet, M.Messerschmidt, M.M.Seibert, G.J.Williams, L.Foucar, L.Reinhard, O.Sitsel, J.L.Gregersen, J.D.Clausen, T.Boesen, K.Gotfryd, K.-T.Wang, C.Olesen, J.V.Moller, P.Nissen, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.87 / 2.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 162.000, 76.300, 151.100, 90.00, 109.00, 90.00
R / Rfree (%) 30.4 / 34.3

Other elements in 4xou:

The structure of Crystal Structure of the Sr CA2+-Atpase in the CA2-E1-Mgamppcp Form Determined By Serial Femtosecond Crystallography Using An X-Ray Free- Electron Laser. also contains other interesting chemical elements:

Potassium (K) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Sr CA2+-Atpase in the CA2-E1-Mgamppcp Form Determined By Serial Femtosecond Crystallography Using An X-Ray Free- Electron Laser. (pdb code 4xou). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of the Sr CA2+-Atpase in the CA2-E1-Mgamppcp Form Determined By Serial Femtosecond Crystallography Using An X-Ray Free- Electron Laser., PDB code: 4xou:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 4xou

Go back to Calcium Binding Sites List in 4xou
Calcium binding site 1 out of 3 in the Crystal Structure of the Sr CA2+-Atpase in the CA2-E1-Mgamppcp Form Determined By Serial Femtosecond Crystallography Using An X-Ray Free- Electron Laser.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Sr CA2+-Atpase in the CA2-E1-Mgamppcp Form Determined By Serial Femtosecond Crystallography Using An X-Ray Free- Electron Laser. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1001

b:0.3
occ:1.00
 OD1 A:ASN796 2.4 0.8 1.0
OE1 A:GLU309 2.4 0.4 1.0
O A:ILE307 2.4 0.7 1.0
OD2 A:ASP800 2.4 0.2 1.0
OE2 A:GLU309 2.4 0.8 1.0
O A:ALA305 2.6 0.7 1.0
O A:VAL304 2.7 0.0 1.0
CD A:GLU309 2.7 0.1 1.0
CG A:ASP800 3.2 0.5 1.0
C A:ALA305 3.3 0.1 1.0
CB A:ASP800 3.3 0.6 1.0
C A:ILE307 3.5 0.7 1.0
CG A:ASN796 3.5 0.1 1.0
CA A:ALA305 3.8 0.2 1.0
C A:VAL304 3.8 0.6 1.0
ND2 A:ASN768 3.8 0.1 1.0
N A:ILE307 3.9 0.7 1.0
ND2 A:ASN796 4.1 0.6 1.0
C A:ALA306 4.2 0.3 1.0
N A:ALA306 4.2 0.0 1.0
CG A:GLU309 4.2 0.0 1.0
CA A:ILE307 4.2 0.7 1.0
N A:ALA305 4.2 0.0 1.0
N A:GLU309 4.3 0.4 1.0
N A:PRO308 4.4 0.6 1.0
OD1 A:ASP800 4.4 0.4 1.0
O A:ALA306 4.6 0.4 1.0
CA A:PRO308 4.7 0.8 1.0
CB A:ASN796 4.7 0.3 1.0
CA A:ALA306 4.7 0.7 1.0
CA A:ASP800 4.8 0.7 1.0
CB A:ILE307 4.8 0.8 1.0
CB A:GLU309 4.9 0.3 1.0
CG A:ASN768 4.9 0.4 1.0

Calcium binding site 2 out of 3 in 4xou

Go back to Calcium Binding Sites List in 4xou
Calcium binding site 2 out of 3 in the Crystal Structure of the Sr CA2+-Atpase in the CA2-E1-Mgamppcp Form Determined By Serial Femtosecond Crystallography Using An X-Ray Free- Electron Laser.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Sr CA2+-Atpase in the CA2-E1-Mgamppcp Form Determined By Serial Femtosecond Crystallography Using An X-Ray Free- Electron Laser. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1002

b:1.0
occ:1.00
 OE2 A:GLU908 2.3 0.0 1.0
OE2 A:GLU771 2.3 0.1 1.0
OD1 A:ASP800 2.4 0.4 1.0
OE1 A:GLU908 2.4 0.2 1.0
OG1 A:THR799 2.4 0.6 1.0
OD1 A:ASN768 2.4 0.6 1.0
CD A:GLU908 2.7 0.0 1.0
CD A:GLU771 3.1 0.7 1.0
CG A:ASP800 3.3 0.5 1.0
CG A:ASN768 3.5 0.4 1.0
CB A:THR799 3.5 0.1 1.0
OE1 A:GLU771 3.5 0.4 1.0
OD2 A:ASP800 3.6 0.2 1.0
O A:VAL795 4.0 0.8 1.0
CG A:GLU771 4.1 0.5 1.0
C A:THR799 4.2 0.6 1.0
ND2 A:ASN768 4.2 0.1 1.0
CG A:GLU908 4.2 0.1 1.0
O A:THR799 4.2 0.6 1.0
CA A:ASN768 4.4 0.2 1.0
N A:ASN768 4.4 0.6 1.0
CA A:THR799 4.5 0.7 1.0
N A:ASP800 4.5 0.6 1.0
CB A:ASN768 4.5 0.4 1.0
CG2 A:THR799 4.5 0.5 1.0
CB A:SER767 4.5 0.1 1.0
CB A:ASP800 4.5 0.6 1.0
C A:SER767 4.6 0.8 1.0
O A:ALA305 4.6 0.7 1.0
O A:SER767 4.8 0.1 1.0
CA A:ASP800 4.9 0.7 1.0
C A:VAL795 4.9 0.9 1.0
CB A:GLU908 4.9 0.0 1.0

Calcium binding site 3 out of 3 in 4xou

Go back to Calcium Binding Sites List in 4xou
Calcium binding site 3 out of 3 in the Crystal Structure of the Sr CA2+-Atpase in the CA2-E1-Mgamppcp Form Determined By Serial Femtosecond Crystallography Using An X-Ray Free- Electron Laser.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the Sr CA2+-Atpase in the CA2-E1-Mgamppcp Form Determined By Serial Femtosecond Crystallography Using An X-Ray Free- Electron Laser. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1005

b:91.1
occ:1.00
 O3G A:ACP1004 2.2 93.4 1.0
OD1 A:ASP703 2.3 94.6 1.0
OD2 A:ASP351 2.4 96.0 1.0
O A:THR353 2.4 82.3 1.0
CG A:ASP703 3.2 96.5 1.0
OD2 A:ASP703 3.4 0.8 1.0
CG A:ASP351 3.5 96.6 1.0
C A:THR353 3.5 80.8 1.0
PG A:ACP1004 3.7 84.0 1.0
N A:GLY704 3.8 91.2 1.0
OD1 A:ASP351 4.0 100.0 1.0
OD2 A:ASP707 4.0 91.4 1.0
CB A:THR353 4.2 93.9 1.0
C3B A:ACP1004 4.2 98.2 1.0
CA A:GLY704 4.2 95.0 1.0
OD1 A:ASN706 4.2 86.8 1.0
CA A:THR353 4.3 87.8 1.0
O2G A:ACP1004 4.4 85.2 1.0
N A:GLY354 4.5 80.5 1.0
CG2 A:THR353 4.5 88.2 1.0
CB A:ASP703 4.6 98.7 1.0
C A:ASP703 4.6 98.3 1.0
N A:ASP703 4.6 0.5 1.0
N A:THR353 4.7 97.7 1.0
CA A:GLY354 4.7 92.7 1.0
O1G A:ACP1004 4.7 74.7 1.0
CB A:ASP351 4.7 98.1 1.0
OG1 A:THR355 4.7 92.3 1.0
CA A:ASP703 4.8 98.7 1.0
ND2 A:ASN706 4.9 85.9 1.0
CG A:ASN706 5.0 86.4 1.0

Reference:

M.Bublitz, K.Nass, N.D.Drachmann, A.J.Markvardsen, M.J.Gutmann, T.R.Barends, D.Mattle, R.L.Shoeman, R.B.Doak, S.Boutet, M.Messerschmidt, M.M.Seibert, G.J.Williams, L.Foucar, L.Reinhard, O.Sitsel, J.L.Gregersen, J.D.Clausen, T.Boesen, K.Gotfryd, K.T.Wang, C.Olesen, J.V.Moller, P.Nissen, I.Schlichting. Structural Studies of P-Type Atpase-Ligand Complexes Using An X-Ray Free-Electron Laser. Iucrj V. 2 409 2015.
ISSN: ESSN 2052-2525
PubMed: 26175901
DOI: 10.1107/S2052252515008969
Page generated: Sun Jul 14 14:38:02 2024

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