Magnesium in PDB 2pzg: Minimal Human Cftr First Nucleotide Binding Domain As A Monomer

The structure of Minimal Human Cftr First Nucleotide Binding Domain As A Monomer, PDB code: 2pzg was solved by S.Atwell, K.Conners, S.Emtage, T.Gheyi, N.R.Glenn, J.Hendle, H.A.Lewis, F.Lu, L.A.Rodgers, R.Romero, J.M.Sauder, D.Smith, H.Tien, S.R.Wasserman, X.Zhao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.91 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.417, 81.498, 99.304, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 23.4

The binding sites of Magnesium atom in the Minimal Human Cftr First Nucleotide Binding Domain As A Monomer (pdb code 2pzg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Minimal Human Cftr First Nucleotide Binding Domain As A Monomer, PDB code: 2pzg:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Minimal Human Cftr First Nucleotide Binding Domain As A Monomer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Minimal Human Cftr First Nucleotide Binding Domain As A Monomer within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg3 b:13.6 occ:1.00 OG1 A:THR465 2.0 15.4 1.0 O2B A:ATP1 2.0 18.6 1.0 OE1 A:GLN493 2.1 16.6 1.0 O A:HOH648 2.1 17.1 1.0 O2G A:ATP1 2.1 20.1 1.0 O A:HOH647 2.2 14.8 1.0 CD A:GLN493 3.0 21.2 1.0 CB A:THR465 3.1 17.3 1.0 PG A:ATP1 3.3 21.0 1.0 PB A:ATP1 3.3 18.9 1.0 NE2 A:GLN493 3.4 20.6 1.0 O3B A:ATP1 3.5 19.8 1.0 N A:THR465 3.9 17.9 1.0 OD2 A:ASP572 3.9 17.6 1.0 O1A A:ATP1 4.0 22.3 1.0 O A:HOH667 4.0 20.9 1.0 OD1 A:ASP572 4.1 19.9 1.0 CA A:THR465 4.1 17.3 1.0 O1G A:ATP1 4.1 21.7 1.0 CG2 A:THR465 4.2 17.2 1.0 O3A A:ATP1 4.3 19.6 1.0 CG A:GLN493 4.4 23.0 1.0 CG A:ASP572 4.4 18.1 1.0 O3G A:ATP1 4.4 23.2 1.0 O1B A:ATP1 4.5 18.9 1.0 PA A:ATP1 4.6 20.1 1.0 CB A:GLN493 4.7 22.6 1.0

Magnesium binding site 2 out of 2 in the Minimal Human Cftr First Nucleotide Binding Domain As A Monomer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Minimal Human Cftr First Nucleotide Binding Domain As A Monomer within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg4 b:14.5 occ:1.00 O2G B:ATP2 2.0 17.9 1.0 O2B B:ATP2 2.1 17.3 1.0 OG1 B:THR465 2.1 16.0 1.0 OE1 B:GLN493 2.2 21.1 1.0 O B:HOH648 2.2 16.2 1.0 O B:HOH647 2.2 18.5 1.0 CD B:GLN493 3.1 20.4 1.0 CB B:THR465 3.2 15.8 1.0 PG B:ATP2 3.3 22.2 1.0 PB B:ATP2 3.3 19.1 1.0 NE2 B:GLN493 3.5 25.4 1.0 O3B B:ATP2 3.5 19.7 1.0 N B:THR465 3.9 15.6 1.0 O1A B:ATP2 4.0 24.5 1.0 O1G B:ATP2 4.0 22.9 1.0 OD2 B:ASP572 4.1 18.6 1.0 CA B:THR465 4.2 16.3 1.0 O B:HOH674 4.2 22.1 1.0 OD1 B:ASP572 4.2 18.4 1.0 O3A B:ATP2 4.3 19.5 1.0 CG2 B:THR465 4.3 19.0 1.0 O1B B:ATP2 4.4 21.6 1.0 O3G B:ATP2 4.5 22.6 1.0 CG B:GLN493 4.5 22.5 1.0 CG B:ASP572 4.5 19.3 1.0 PA B:ATP2 4.6 21.3 1.0 CB B:GLN493 4.9 19.4 1.0

S.Atwell, C.G.Brouillette, K.Conners, S.Emtage, T.Gheyi, W.B.Guggino, J.Hendle, J.F.Hunt, H.A.Lewis, F.Lu, I.I.Protasevich, L.A.Rodgers, R.Romero, S.R.Wasserman, P.C.Weber, D.Wetmore, F.F.Zhang, X.Zhao. Structures of A Minimal Human Cftr First Nucleotide-Binding Domain As A Monomer, Head-to-Tail Homodimer, and Pathogenic Mutant. Protein Eng.Des.Sel. V. 23 375 2010.
ISSN: ISSN 1741-0126
PubMed: 20150177
DOI: 10.1093/PROTEIN/GZQ004