Magnesium in PDB 3ar4: Calcium Pump Crystal Structure with Bound Atp and Tg in the Absence of CA2+

All present enzymatic activity of Calcium Pump Crystal Structure with Bound Atp and Tg in the Absence of CA2+:
3.6.3.8;

The structure of Calcium Pump Crystal Structure with Bound Atp and Tg in the Absence of CA2+, PDB code: 3ar4 was solved by C.Toyoshima, S.Yonekura, J.Tsueda, S.Iwasawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.97 / 2.15
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	71.381, 71.381, 590.690, 90.00, 90.00, 90.00
R / Rfree (%)	23.9 / 28.1

The structure of Calcium Pump Crystal Structure with Bound Atp and Tg in the Absence of CA2+ also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Magnesium atom in the Calcium Pump Crystal Structure with Bound Atp and Tg in the Absence of CA2+ (pdb code 3ar4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Calcium Pump Crystal Structure with Bound Atp and Tg in the Absence of CA2+, PDB code: 3ar4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Calcium Pump Crystal Structure with Bound Atp and Tg in the Absence of CA2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Calcium Pump Crystal Structure with Bound Atp and Tg in the Absence of CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg997 b:58.8 occ:1.00 O A:HOH2171 1.9 57.5 1.0 O1A A:ATP1002 2.1 53.6 1.0 O1B A:ATP1002 2.1 51.8 1.0 O A:HOH2094 2.2 58.3 1.0 O1G A:ATP1002 2.3 62.4 1.0 O A:HOH2091 2.3 63.6 1.0 PB A:ATP1002 3.3 54.9 1.0 PA A:ATP1002 3.3 55.1 1.0 OE2 A:GLU439 3.4 66.5 1.0 PG A:ATP1002 3.6 63.9 1.0 O3A A:ATP1002 3.7 55.1 1.0 O3B A:ATP1002 3.8 57.7 1.0 NH2 A:ARG560 4.0 44.0 1.0 O A:HOH2363 4.0 67.8 1.0 O5' A:ATP1002 4.2 55.1 1.0 O2A A:ATP1002 4.3 55.7 1.0 O3G A:ATP1002 4.4 61.9 1.0 O2B A:ATP1002 4.5 58.9 1.0 O A:HOH2098 4.5 59.6 1.0 O2G A:ATP1002 4.6 64.3 1.0 O A:HOH2295 4.6 69.3 1.0 CD A:GLU439 4.6 66.7 1.0 O A:HOH2083 4.7 67.6 1.0 C8 A:ATP1002 4.8 46.2 1.0 N7 A:ATP1002 4.9 47.3 1.0

Magnesium binding site 2 out of 2 in the Calcium Pump Crystal Structure with Bound Atp and Tg in the Absence of CA2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Calcium Pump Crystal Structure with Bound Atp and Tg in the Absence of CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:65.7 occ:1.00 OD2 A:ASP707 2.4 48.0 1.0 OD1 A:ASP703 2.4 57.1 1.0 O A:HOH2056 2.9 68.6 1.0 CG A:ASP707 3.3 48.2 1.0 OD1 A:ASP707 3.5 40.3 1.0 CG A:ASP703 3.7 57.1 1.0 N A:ASP703 4.0 47.1 1.0 N A:GLY704 4.1 47.1 1.0 O A:HOH2267 4.2 54.0 1.0 ND2 A:ASN706 4.3 50.4 1.0 OD2 A:ASP703 4.4 62.1 1.0 OD1 A:ASN706 4.5 50.8 1.0 CB A:ASP703 4.6 53.4 1.0 CA A:ASP703 4.7 51.5 1.0 O A:HOH2049 4.7 48.8 1.0 CB A:ASP707 4.7 43.9 1.0 CG A:ASN706 4.8 48.1 1.0 C A:ASP703 4.8 51.1 1.0 CA A:GLY704 4.8 46.0 1.0 NZ A:LYS684 4.9 50.1 1.0 C A:GLY702 5.0 46.0 1.0

C.Toyoshima, S.Yonekura, J.Tsueda, S.Iwasawa. Trinitrophenyl Derivatives Bind Differently From Parent Adenine Nucleotides to CA2+-Atpase in the Absence of CA2+ Proc.Natl.Acad.Sci.Usa V. 108 1833 2011.
ISSN: ISSN 0027-8424
PubMed: 21239683
DOI: 10.1073/PNAS.1017659108