Magnesium in PDB 2bbs: Human DELTAF508 NBD1 with Three Solubilizing Mutations

The structure of Human DELTAF508 NBD1 with Three Solubilizing Mutations, PDB code: 2bbs was solved by H.A.Lewis, M.C.Kearins, K.Conners, X.Zhao, F.Lu, J.M.Sauder, S.Emtage, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.93 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.937, 66.225, 122.531, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 29.1

The binding sites of Magnesium atom in the Human DELTAF508 NBD1 with Three Solubilizing Mutations (pdb code 2bbs). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Human DELTAF508 NBD1 with Three Solubilizing Mutations, PDB code: 2bbs:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Human DELTAF508 NBD1 with Three Solubilizing Mutations


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human DELTAF508 NBD1 with Three Solubilizing Mutations within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg3 b:15.0 occ:1.00 OG1 A:THR465 2.0 9.0 1.0 O2B A:ATP1 2.0 9.8 1.0 O2G A:ATP1 2.0 14.0 1.0 OE1 A:GLN493 2.1 16.7 1.0 O A:HOH7 2.1 9.4 1.0 O A:HOH202 2.2 10.9 1.0 CD A:GLN493 3.1 18.8 1.0 CB A:THR465 3.2 11.6 1.0 PB A:ATP1 3.3 12.0 1.0 PG A:ATP1 3.3 13.6 1.0 NE2 A:GLN493 3.5 20.6 1.0 O3B A:ATP1 3.6 13.9 1.0 O1A A:ATP1 3.9 13.5 1.0 N A:THR465 3.9 9.6 1.0 OD2 A:ASP572 4.0 13.7 1.0 O A:HOH191 4.0 25.4 1.0 O A:HOH95 4.0 32.8 1.0 OD1 A:ASP572 4.1 15.8 1.0 CA A:THR465 4.1 10.3 1.0 O3A A:ATP1 4.3 11.9 1.0 CG2 A:THR465 4.3 12.7 1.0 O1G A:ATP1 4.3 17.7 1.0 O3G A:ATP1 4.3 16.0 1.0 O1B A:ATP1 4.4 12.8 1.0 CG A:GLN493 4.4 18.4 1.0 CG A:ASP572 4.5 15.2 1.0 PA A:ATP1 4.5 12.6 1.0 O A:HOH204 4.8 33.5 1.0 CB A:LYS464 4.9 9.7 1.0 C A:LYS464 5.0 10.2 1.0

Magnesium binding site 2 out of 2 in the Human DELTAF508 NBD1 with Three Solubilizing Mutations


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human DELTAF508 NBD1 with Three Solubilizing Mutations within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg4 b:20.4 occ:1.00 O B:HOH8 2.0 17.1 1.0 OG1 B:THR465 2.0 12.5 1.0 O2B B:ATP2 2.0 17.7 1.0 OE1 B:GLN493 2.1 22.7 1.0 O B:HOH203 2.1 13.4 1.0 O2G B:ATP2 2.1 22.8 1.0 CB B:THR465 3.1 14.2 1.0 CD B:GLN493 3.2 24.6 1.0 PB B:ATP2 3.3 20.3 1.0 PG B:ATP2 3.5 22.6 1.0 O3B B:ATP2 3.7 20.0 1.0 OD2 B:ASP572 3.7 20.2 1.0 NE2 B:GLN493 3.7 25.4 1.0 OD1 B:ASP572 3.8 17.7 1.0 N B:THR465 3.9 15.1 1.0 CA B:THR465 4.1 14.1 1.0 O B:HOH39 4.1 24.6 1.0 O1A B:ATP2 4.1 22.3 1.0 CG B:ASP572 4.2 19.1 1.0 O B:HOH199 4.2 38.4 1.0 CG2 B:THR465 4.2 13.5 1.0 O3A B:ATP2 4.3 18.2 1.0 O1G B:ATP2 4.4 23.7 1.0 CG B:GLN493 4.5 24.4 1.0 O1B B:ATP2 4.5 21.1 1.0 O3G B:ATP2 4.5 24.9 1.0 PA B:ATP2 4.6 23.4 1.0 CB B:LYS464 4.9 15.6 1.0 CE B:LYS464 4.9 15.1 1.0 C B:LYS464 4.9 15.9 1.0

H.A.Lewis, C.Wang, X.Zhao, Y.Hamuro, K.Conners, M.C.Kearins, F.Lu, J.M.Sauder, K.S.Molnar, S.J.Coales, P.C.Maloney, W.B.Guggino, D.R.Wetmore, P.C.Weber, J.F.Hunt. Structure and Dynamics of NBD1 From Cftr Characterized Using Crystallography and Hydrogen/Deuterium Exchange Mass Spectrometry. J.Mol.Biol. V. 396 406 2010.
ISSN: ISSN 0022-2836
PubMed: 19944699
DOI: 10.1016/J.JMB.2009.11.051