Magnesium in PDB 6bxj: Structure of A Single-Chain BETA3 Integrin

The structure of Structure of A Single-Chain BETA3 Integrin, PDB code: 6bxj was solved by A.M.M.Thinn, Z.Wang, D.Zhou, Y.Zhao, B.R.Curtis, J.Zhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.29 / 2.09
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.460, 125.290, 70.020, 90.00, 112.95, 90.00
R / Rfree (%)	18.6 / 23.4

The binding sites of Magnesium atom in the Structure of A Single-Chain BETA3 Integrin (pdb code 6bxj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of A Single-Chain BETA3 Integrin, PDB code: 6bxj:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of A Single-Chain BETA3 Integrin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of A Single-Chain BETA3 Integrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:23.7 occ:1.00 OD2 A:ASP221 2.0 32.6 1.0 OG A:SER123 2.0 36.0 1.0 O A:HOH897 2.1 18.8 1.0 OG A:SER121 2.2 30.8 1.0 CG A:ASP221 2.9 29.3 1.0 OD1 A:ASP221 3.1 32.8 1.0 CB A:SER123 3.3 35.3 1.0 CB A:SER121 3.3 32.5 1.0 OD2 A:ASP119 3.9 33.1 1.0 C A:ASP221 3.9 34.2 1.0 N A:GLY222 4.0 25.7 1.0 OG1 A:THR188 4.0 27.4 1.0 O A:ASP221 4.0 37.0 1.0 OD1 A:ASP119 4.2 30.9 1.0 CA A:GLY222 4.2 31.7 1.0 N A:SER123 4.2 33.7 1.0 CB A:ASP221 4.2 29.2 1.0 CA A:SER123 4.3 34.7 1.0 CG A:ASP119 4.4 37.8 1.0 CA A:SER121 4.5 35.2 1.0 O A:HOH922 4.5 28.0 1.0 CA A:ASP221 4.5 31.9 1.0 C A:SER121 4.7 30.3 1.0 N A:ASP221 4.8 30.0 1.0 N A:LEU124 4.9 31.4 1.0 C A:SER123 4.9 38.7 1.0 CG A:LEU124 5.0 30.1 1.0 N A:SER121 5.0 27.9 1.0

Magnesium binding site 2 out of 2 in the Structure of A Single-Chain BETA3 Integrin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of A Single-Chain BETA3 Integrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg702 b:53.0 occ:1.00 O A:HOH1391 2.7 51.0 1.0 O A:HOH1244 3.0 52.6 1.0 O A:HOH1074 3.1 39.4 1.0 CE2 A:TRP171 3.8 36.0 1.0 CZ2 A:TRP171 4.0 38.3 1.0 CD2 A:TRP171 4.1 38.0 1.0 NE1 A:TRP171 4.2 34.6 1.0 CH2 A:TRP171 4.3 47.6 1.0 CE3 A:TRP171 4.4 37.4 1.0 O A:HOH1335 4.5 47.6 1.0 CG A:TRP171 4.6 40.0 1.0 CZ3 A:TRP171 4.6 45.0 1.0 CD1 A:TRP171 4.6 32.6 1.0 CB A:ALA176 4.7 33.0 1.0 O A:ALA176 4.7 38.6 1.0 O A:HOH1363 4.7 47.4 1.0 CE1 A:HIS180 4.8 59.6 1.0

A.M.M.Thinn, Z.Wang, D.Zhou, Y.Zhao, B.R.Curtis, J.Zhu. Autonomous Conformational Regulation of BETA3INTEGRIN and the Conformation-Dependent Property of Hpa-1A Alloantibodies. Proc. Natl. Acad. Sci. V. 115 E9105 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30209215
DOI: 10.1073/PNAS.1806205115