Magnesium in PDB 2pze: Minimal Human Cftr First Nucleotide Binding Domain As A Head-to-Tail Dimer

The structure of Minimal Human Cftr First Nucleotide Binding Domain As A Head-to-Tail Dimer, PDB code: 2pze 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)	21.30 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.803, 92.779, 107.419, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 24.7

The binding sites of Magnesium atom in the Minimal Human Cftr First Nucleotide Binding Domain As A Head-to-Tail Dimer (pdb code 2pze). 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 Head-to-Tail Dimer, PDB code: 2pze:
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 Head-to-Tail Dimer


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 Head-to-Tail Dimer within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg3 b:11.3 occ:1.00 O2B A:ATP1 2.0 8.8 1.0 O2G A:ATP1 2.0 10.2 1.0 O A:HOH647 2.1 11.1 1.0 OG1 A:THR465 2.1 11.0 1.0 O A:HOH648 2.2 14.0 1.0 OE1 A:GLN493 2.3 13.3 1.0 CD A:GLN493 3.2 15.6 1.0 PG A:ATP1 3.2 12.2 1.0 CB A:THR465 3.2 10.9 1.0 PB A:ATP1 3.3 11.1 1.0 O3B A:ATP1 3.5 11.4 1.0 NE2 A:GLN493 3.5 15.9 1.0 O1G A:ATP1 3.9 10.7 1.0 N A:THR465 4.0 9.2 1.0 OD2 A:ASP572 4.0 16.3 1.0 O A:HOH706 4.0 15.8 1.0 O1A A:ATP1 4.0 11.8 1.0 OD1 A:ASP572 4.0 17.0 1.0 O B:HOH692 4.1 28.6 1.0 CA A:THR465 4.1 10.0 1.0 N B:GLY550 4.2 17.3 1.0 O3A A:ATP1 4.2 14.5 1.0 CG2 A:THR465 4.3 11.0 1.0 O3G A:ATP1 4.4 14.0 1.0 CG A:ASP572 4.4 15.9 1.0 O1B A:ATP1 4.4 10.1 1.0 CG A:GLN493 4.5 16.4 1.0 PA A:ATP1 4.6 12.7 1.0 CA B:GLY550 4.9 16.9 1.0 O A:HOH725 4.9 22.5 1.0 CB B:SER549 4.9 17.7 1.0

Magnesium binding site 2 out of 2 in the Minimal Human Cftr First Nucleotide Binding Domain As A Head-to-Tail Dimer


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 Head-to-Tail Dimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg4 b:13.0 occ:1.00 O2B B:ATP2 2.0 12.2 1.0 O2G B:ATP2 2.0 11.8 1.0 O B:HOH648 2.1 12.1 1.0 O B:HOH647 2.2 15.8 1.0 OG1 B:THR465 2.2 13.0 1.0 OE1 B:GLN493 2.2 18.1 1.0 PG B:ATP2 3.1 15.6 1.0 CD B:GLN493 3.2 26.9 1.0 PB B:ATP2 3.2 13.3 1.0 CB B:THR465 3.3 10.8 1.0 O3B B:ATP2 3.4 14.8 1.0 NE2 B:GLN493 3.5 23.3 1.0 O1G B:ATP2 3.8 16.1 1.0 O1A B:ATP2 4.0 13.8 1.0 N B:THR465 4.0 8.8 1.0 OD1 B:ASP572 4.0 18.4 1.0 OD2 B:ASP572 4.0 19.1 1.0 O B:HOH649 4.1 21.1 1.0 N A:GLY550 4.1 19.0 1.0 CA B:THR465 4.2 10.5 1.0 O3A B:ATP2 4.2 16.6 1.0 CG2 B:THR465 4.3 12.9 1.0 O3G B:ATP2 4.4 16.1 1.0 O1B B:ATP2 4.4 12.9 1.0 O A:HOH712 4.4 27.6 1.0 CG B:ASP572 4.5 15.7 1.0 CG B:GLN493 4.5 27.7 1.0 PA B:ATP2 4.6 15.6 1.0 CA A:GLY550 4.7 18.4 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