Magnesium in PDB 3w5b: Crystal Structure of the Recombinant SERCA1A (Calcium Pump of Fast Twitch Skeletal Muscle) in the E1.MG2+ State

The structure of Crystal Structure of the Recombinant SERCA1A (Calcium Pump of Fast Twitch Skeletal Muscle) in the E1.MG2+ State, PDB code: 3w5b was solved by C.Toyoshima, S.Iwasawa, H.Ogawa, A.Hirata, J.Tsueda, G.Inesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 3.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	186.787, 55.293, 178.278, 90.00, 118.18, 90.00
R / Rfree (%)	26.8 / 29.8

The structure of Crystal Structure of the Recombinant SERCA1A (Calcium Pump of Fast Twitch Skeletal Muscle) in the E1.MG2+ State also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of the Recombinant SERCA1A (Calcium Pump of Fast Twitch Skeletal Muscle) in the E1.MG2+ State (pdb code 3w5b). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Recombinant SERCA1A (Calcium Pump of Fast Twitch Skeletal Muscle) in the E1.MG2+ State, PDB code: 3w5b:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Recombinant SERCA1A (Calcium Pump of Fast Twitch Skeletal Muscle) in the E1.MG2+ State


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 Recombinant SERCA1A (Calcium Pump of Fast Twitch Skeletal Muscle) in the E1.MG2+ State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1002 b:4.9 occ:1.00 OD1 A:ASN768 2.3 97.7 1.0 OE1 A:GLU771 2.5 1.0 1.0 O A:HOH1107 2.5 19.4 1.0 OD1 A:ASN796 2.6 0.4 1.0 O A:ALA305 2.6 0.5 1.0 C A:ALA305 2.8 0.2 1.0 ND2 A:ASN796 3.0 0.6 1.0 CG A:ASN796 3.1 0.5 1.0 N A:ALA306 3.2 0.7 1.0 CA A:ALA306 3.3 0.1 1.0 CG A:ASN768 3.4 98.6 1.0 O A:HOH1106 3.6 25.4 1.0 CD A:GLU771 3.6 0.4 1.0 CA A:ALA305 3.6 0.5 1.0 OD2 A:ASP800 3.7 0.7 1.0 CB A:ALA305 3.8 0.6 1.0 C A:ALA306 3.9 0.9 1.0 OE2 A:GLU771 4.0 0.0 1.0 OE1 A:GLU309 4.2 0.7 1.0 ND2 A:ASN768 4.2 98.6 1.0 O A:ALA306 4.4 0.6 1.0 CB A:ASN768 4.5 0.4 1.0 O A:ILE307 4.5 0.4 1.0 CB A:ASN796 4.5 0.1 1.0 N A:ILE307 4.5 0.9 1.0 OE2 A:GLU309 4.5 0.9 1.0 CB A:ALA306 4.6 0.5 1.0 CG A:ASP800 4.7 0.1 1.0 CD A:GLU309 4.8 0.1 1.0 CG A:GLU771 4.8 0.7 1.0 CA A:ASN768 4.9 0.9 1.0 CB A:GLU771 5.0 0.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Recombinant SERCA1A (Calcium Pump of Fast Twitch Skeletal Muscle) in the E1.MG2+ State


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 Recombinant SERCA1A (Calcium Pump of Fast Twitch Skeletal Muscle) in the E1.MG2+ State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1003 b:20.5 occ:1.00 O A:HOH1102 2.2 18.1 1.0 O A:HOH1105 2.4 21.2 1.0 O A:HOH1103 2.7 10.8 1.0 O A:HOH1101 2.7 15.7 1.0 O1A A:TM11004 3.1 0.5 1.0 O A:HOH1104 3.9 34.5 1.0 O3A A:TM11004 4.2 0.3 1.0 PA A:TM11004 4.3 0.0 1.0 OD1 A:ASP703 4.4 0.3 1.0 CB A:THR353 4.6 98.6 1.0 O A:THR353 4.8 85.8 1.0 OG1 A:THR353 4.9 0.6 1.0 O2A A:TM11004 4.9 0.8 1.0

C.Toyoshima, S.Iwasawa, H.Ogawa, A.Hirata, J.Tsueda, G.Inesi. Crystal Structures of the Calcium Pump and Sarcolipin in the MG2+-Bound E1 State. Nature V. 495 260 2013.
ISSN: ISSN 0028-0836
PubMed: 23455422
DOI: 10.1038/NATURE11899