Magnesium in PDB 1b7t: Myosin Digested By Papain

The structure of Myosin Digested By Papain, PDB code: 1b7t was solved by A.Houdusse, V.Kalabokis, D.Himmel, A.G.Szent-Gyorgyi, C.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	51.700, 58.900, 138.900, 89.10, 90.00, 73.50
R / Rfree (%)	22.4 / 29.7

The structure of Myosin Digested By Papain also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Magnesium atom in the Myosin Digested By Papain (pdb code 1b7t). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Myosin Digested By Papain, PDB code: 1b7t:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Myosin Digested By Papain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Myosin Digested By Papain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg836 b:17.9 occ:1.00 O A:HOH1003 1.9 18.9 1.0 OG A:SER241 2.1 25.5 1.0 O1B A:ADP999 2.1 15.5 1.0 O A:HOH1010 2.2 2.0 1.0 OG1 A:THR183 2.5 26.2 1.0 O A:HOH1057 2.5 29.8 1.0 CB A:SER241 3.0 22.1 1.0 PB A:ADP999 3.2 34.5 1.0 O3B A:ADP999 3.3 17.1 1.0 CB A:THR183 3.4 31.6 1.0 O A:HOH1063 3.5 28.4 1.0 N A:SER241 3.7 25.1 1.0 CA A:SER241 4.0 20.6 1.0 N A:THR183 4.1 34.8 1.0 O1A A:ADP999 4.1 24.9 1.0 OD2 A:ASP460 4.2 78.8 1.0 OD1 A:ASP460 4.2 89.1 1.0 O3A A:ADP999 4.2 8.6 1.0 CA A:THR183 4.3 28.6 1.0 O2B A:ADP999 4.4 32.7 1.0 CG2 A:THR183 4.5 22.6 1.0 PA A:ADP999 4.6 18.2 1.0 CG A:ASP460 4.6 78.2 1.0 CB A:LYS182 4.7 25.9 1.0 O A:ASN239 4.7 16.2 1.0 O2A A:ADP999 4.7 15.3 1.0 O A:HOH1039 4.7 31.2 1.0 OD1 A:ASN237 4.8 23.6 1.0 C A:SER240 4.8 20.9 1.0 O A:SER241 4.9 44.0 1.0 C A:SER241 5.0 25.3 1.0

Magnesium binding site 2 out of 2 in the Myosin Digested By Papain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Myosin Digested By Papain within 5.0Å range: probe atom residue distance (Å) B Occ Y:Mg502 b:62.5 occ:1.00 O Y:HOH622 2.2 52.6 1.0 O Y:PHE34 2.2 74.1 1.0 OD1 Y:ASP32 2.3 78.3 1.0 OD1 Y:ASP30 2.4 58.8 1.0 OD2 Y:ASP39 2.4 95.4 1.0 OD2 Y:ASP30 2.7 52.0 1.0 OD1 Y:ASP28 2.8 60.4 1.0 CG Y:ASP30 2.9 59.6 1.0 CG Y:ASP32 3.0 71.7 1.0 CG Y:ASP39 3.0 88.0 1.0 C Y:PHE34 3.2 72.3 1.0 OD1 Y:ASP39 3.2 89.8 1.0 OD2 Y:ASP32 3.4 63.0 1.0 OG Y:SER36 3.6 58.0 1.0 CA Y:PHE34 4.0 67.8 1.0 CG Y:ASP28 4.0 78.1 1.0 N Y:VAL35 4.0 70.8 1.0 N Y:PHE34 4.1 66.6 1.0 N Y:SER36 4.1 59.2 1.0 O Y:HOH769 4.1 63.7 1.0 CB Y:PHE34 4.1 60.4 1.0 CB Y:ASP32 4.2 61.0 1.0 CA Y:VAL35 4.2 63.4 1.0 CB Y:ASP39 4.3 83.3 1.0 CB Y:ASP30 4.4 58.1 1.0 CB Y:SER36 4.5 59.2 1.0 N Y:ASP32 4.5 58.8 1.0 C Y:VAL35 4.5 62.8 1.0 CA Y:ASP32 4.7 58.6 1.0 OD2 Y:ASP28 4.8 67.9 1.0 N Y:ASP30 4.8 78.9 1.0 CA Y:ASP28 4.9 84.0 1.0 C Y:ASP32 4.9 65.0 1.0 C Y:ASP30 4.9 67.9 1.0 CB Y:ASP28 4.9 85.2 1.0 CA Y:ASP30 5.0 69.7 1.0 CA Y:SER36 5.0 57.7 1.0

A.Houdusse, V.N.Kalabokis, D.Himmel, A.G.Szent-Gyorgyi, C.Cohen. Atomic Structure of Scallop Myosin Subfragment S1 Complexed with Mgadp: A Novel Conformation of the Myosin Head. Cell(Cambridge,Mass.) V. 97 459 1999.
ISSN: ISSN 0092-8674
PubMed: 10338210
DOI: 10.1016/S0092-8674(00)80756-4