Magnesium in PDB 3w5a: Crystal Structure of the Calcium Pump and Sarcolipin From Rabbit Fast Twitch Skeletal Muscle in the E1.MG2+ State

The structure of Crystal Structure of the Calcium Pump and Sarcolipin From Rabbit Fast Twitch Skeletal Muscle in the E1.MG2+ State, PDB code: 3w5a 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 / 3.01
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	352.883, 55.729, 187.951, 90.00, 119.02, 90.00
R / Rfree (%)	24.8 / 28.3

The structure of Crystal Structure of the Calcium Pump and Sarcolipin From Rabbit Fast Twitch Skeletal Muscle in the E1.MG2+ State also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Calcium Pump and Sarcolipin From Rabbit Fast Twitch Skeletal Muscle in the E1.MG2+ State (pdb code 3w5a). 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 Calcium Pump and Sarcolipin From Rabbit Fast Twitch Skeletal Muscle in the E1.MG2+ State, PDB code: 3w5a:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of the Calcium Pump and Sarcolipin From Rabbit 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 Calcium Pump and Sarcolipin From Rabbit Fast Twitch Skeletal Muscle in the E1.MG2+ State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1004 b:55.4 occ:1.00 OD1 A:ASN796 1.7 86.4 1.0 O A:HOH4002 2.3 66.7 1.0 OE1 A:GLU771 2.4 82.3 1.0 OD2 A:ASP800 2.6 99.3 1.0 O A:ALA305 2.7 76.5 1.0 CG A:ASN796 2.9 85.3 1.0 OD1 A:ASN768 3.1 68.1 1.0 O A:HOH4001 3.1 68.7 1.0 CD A:GLU771 3.3 82.7 1.0 OE2 A:GLU771 3.5 80.2 1.0 CG A:ASP800 3.5 97.1 1.0 ND2 A:ASN796 3.5 89.7 1.0 OD1 A:ASP800 3.7 0.5 1.0 C A:ALA305 3.8 79.6 1.0 CB A:ASN796 4.1 80.2 1.0 CG A:ASN768 4.1 67.0 1.0 CA A:ALA305 4.3 81.5 1.0 CB A:ALA305 4.3 80.6 1.0 CA A:ASN796 4.4 77.2 1.0 ND2 A:ASN768 4.5 67.0 1.0 OG1 A:THR799 4.6 0.3 1.0 CG A:GLU771 4.7 81.8 1.0 CB A:ASP800 4.9 87.3 1.0 O A:ASN796 4.9 77.6 1.0 N A:ALA306 5.0 81.7 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of the Calcium Pump and Sarcolipin From Rabbit 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 Calcium Pump and Sarcolipin From Rabbit Fast Twitch Skeletal Muscle in the E1.MG2+ State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1005 b:19.5 occ:1.00 O A:HOH4004 1.8 36.1 1.0 O A:HOH4003 2.0 58.9 1.0 O A:HOH4006 2.2 37.0 1.0 O A:HOH4005 2.4 20.0 1.0 O1A A:TM11001 3.9 46.9 1.0 O3A A:TM11001 4.2 46.7 1.0 OD1 A:ASP703 4.3 64.6 1.0 PA A:TM11001 4.6 45.5 1.0 O A:THR353 4.9 36.2 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of the Calcium Pump and Sarcolipin From Rabbit 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 3 of Crystal Structure of the Calcium Pump and Sarcolipin From Rabbit Fast Twitch Skeletal Muscle in the E1.MG2+ State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1005 b:58.2 occ:1.00 O B:HOH4002 2.0 82.6 1.0 O B:ALA305 2.2 59.1 1.0 OD1 B:ASN796 2.3 83.0 1.0 OD1 B:ASN768 2.5 53.5 1.0 OE1 B:GLU771 2.7 72.6 1.0 OD2 B:ASP800 2.9 92.5 1.0 O B:HOH4001 3.1 59.7 1.0 C B:ALA305 3.4 58.4 1.0 CG B:ASN796 3.4 77.1 1.0 CG B:ASN768 3.6 52.6 1.0 CD B:GLU771 3.7 75.0 1.0 OE2 B:GLU771 3.8 75.1 1.0 ND2 B:ASN796 4.0 75.7 1.0 CG B:ASP800 4.0 90.3 1.0 ND2 B:ASN768 4.1 54.6 1.0 CA B:ALA305 4.2 57.4 1.0 OD1 B:ASP800 4.3 93.3 1.0 N B:ALA306 4.3 61.6 1.0 CA B:ALA306 4.5 65.1 1.0 CB B:ALA305 4.6 55.7 1.0 CB B:ASN796 4.6 74.8 1.0 CB B:ASN768 4.9 51.9 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of the Calcium Pump and Sarcolipin From Rabbit 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 4 of Crystal Structure of the Calcium Pump and Sarcolipin From Rabbit Fast Twitch Skeletal Muscle in the E1.MG2+ State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1006 b:16.8 occ:1.00 O B:HOH4006 2.0 40.9 1.0 O B:HOH4004 2.2 42.0 1.0 O B:HOH4003 2.5 48.3 1.0 O B:HOH4005 2.6 40.5 1.0 O1A B:TM11001 3.5 64.2 1.0 OD1 B:ASP703 4.4 61.9 1.0 O B:THR353 4.6 37.4 1.0 O3A B:TM11001 4.7 68.2 1.0 OD2 B:ASP703 4.7 62.5 1.0 PA B:TM11001 4.7 65.3 1.0 CB B:ASP351 4.8 46.4 1.0 CG B:ASP703 5.0 57.9 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