Magnesium in PDB 1r0x: Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (NBD1) with Atp

The structure of Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (NBD1) with Atp, PDB code: 1r0x was solved by H.A.Lewis, S.G.Buchanan, S.K.Burley, K.Conners, M.Dickey, M.Dorwart, R.Fowler, X.Gao, W.B.Guggino, W.A.Hendrickson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.20 / 2.20
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	173.292, 173.292, 110.460, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 26.6

The binding sites of Magnesium atom in the Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (NBD1) with Atp (pdb code 1r0x). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (NBD1) with Atp, PDB code: 1r0x:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (NBD1) with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (NBD1) with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg13 b:35.2 occ:1.00 OE1 A:GLN493 2.0 35.1 1.0 O2B A:ATP1 2.1 39.1 1.0 O2G A:ATP1 2.1 40.9 1.0 O A:HOH208 2.1 31.1 1.0 O A:HOH148 2.2 27.9 1.0 OG1 A:THR465 2.3 26.9 1.0 CD A:GLN493 3.1 39.4 1.0 PB A:ATP1 3.3 39.0 1.0 PG A:ATP1 3.3 43.1 1.0 CB A:THR465 3.4 28.9 1.0 O3B A:ATP1 3.5 39.7 1.0 NE2 A:GLN493 3.9 39.6 1.0 N A:THR465 3.9 30.5 1.0 O1A A:ATP1 4.1 36.5 1.0 OD2 A:ASP572 4.2 28.7 1.0 O3G A:ATP1 4.2 44.4 1.0 OD1 A:ASP572 4.2 25.5 1.0 O1B A:ATP1 4.3 36.9 1.0 CA A:THR465 4.3 28.2 1.0 CG A:GLN493 4.3 35.7 1.0 O1G A:ATP1 4.4 42.4 1.0 CG2 A:THR465 4.4 21.9 1.0 O3A A:ATP1 4.4 37.5 1.0 PA A:ATP1 4.7 38.4 1.0 CG A:ASP572 4.7 25.8 1.0 CB A:LYS464 4.9 28.5 1.0 CE A:LYS464 4.9 32.0 1.0 NZ A:LYS464 5.0 33.6 1.0

Magnesium binding site 2 out of 4 in the Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (NBD1) with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (NBD1) with Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg11 b:39.9 occ:1.00 O2G B:ATP2 2.1 35.5 1.0 OE1 B:GLN493 2.2 30.1 1.0 O B:HOH209 2.2 28.4 1.0 OG1 B:THR465 2.2 24.3 1.0 O2B B:ATP2 2.3 32.2 1.0 O B:HOH107 2.3 27.4 1.0 CD B:GLN493 3.2 34.0 1.0 CB B:THR465 3.3 24.1 1.0 PG B:ATP2 3.3 34.3 1.0 PB B:ATP2 3.5 32.3 1.0 NE2 B:GLN493 3.5 33.4 1.0 O3B B:ATP2 3.6 33.3 1.0 O B:HOH130 3.8 39.7 1.0 O B:HOH155 3.8 40.3 1.0 O B:HOH141 4.1 54.5 1.0 O1A B:ATP2 4.1 35.6 1.0 OD2 B:ASP572 4.1 23.5 1.0 OD1 B:ASP572 4.1 23.8 1.0 O3G B:ATP2 4.1 36.0 1.0 N B:THR465 4.1 25.6 1.0 CG2 B:THR465 4.3 21.4 1.0 CA B:THR465 4.3 24.0 1.0 O1G B:ATP2 4.4 35.5 1.0 O1B B:ATP2 4.5 32.8 1.0 CG B:GLN493 4.5 34.8 1.0 CG B:ASP572 4.6 24.1 1.0 O3A B:ATP2 4.6 33.1 1.0 PA B:ATP2 4.8 35.9 1.0 CB B:GLN493 4.9 32.1 1.0

Magnesium binding site 3 out of 4 in the Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (NBD1) with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (NBD1) with Atp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg12 b:37.7 occ:1.00 O2G C:ATP3 1.9 35.5 1.0 O2B C:ATP3 2.1 31.5 1.0 O C:HOH309 2.1 27.5 1.0 O C:HOH246 2.3 32.7 1.0 OE1 C:GLN493 2.3 29.8 1.0 OG1 C:THR465 2.3 26.1 1.0 PG C:ATP3 3.2 36.7 1.0 CD C:GLN493 3.3 32.9 1.0 PB C:ATP3 3.3 34.5 1.0 O3B C:ATP3 3.3 36.8 1.0 CB C:THR465 3.4 26.1 1.0 NE2 C:GLN493 3.5 34.8 1.0 O C:HOH270 3.9 43.9 1.0 O C:HOH308 3.9 46.0 1.0 O1A C:ATP3 3.9 35.3 1.0 N C:THR465 4.0 25.9 1.0 O3G C:ATP3 4.1 36.8 1.0 OD1 C:ASP572 4.1 21.6 1.0 O1B C:ATP3 4.2 33.1 1.0 OD2 C:ASP572 4.2 21.9 1.0 O1G C:ATP3 4.2 36.0 1.0 CA C:THR465 4.3 24.6 1.0 O3A C:ATP3 4.5 37.0 1.0 CG2 C:THR465 4.5 19.2 1.0 CG C:ASP572 4.6 22.6 1.0 PA C:ATP3 4.7 36.0 1.0 CG C:GLN493 4.7 33.7 1.0 CB C:LYS464 5.0 24.6 1.0

Magnesium binding site 4 out of 4 in the Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (NBD1) with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (NBD1) with Atp within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg14 b:62.5 occ:1.00 O2G D:ATP4 2.0 53.7 1.0 O D:HOH378 2.1 42.1 1.0 O2B D:ATP4 2.2 45.4 1.0 OG1 D:THR465 2.3 42.0 1.0 OE1 D:GLN493 2.3 46.7 1.0 PG D:ATP4 3.2 49.7 1.0 O3B D:ATP4 3.3 46.9 1.0 PB D:ATP4 3.3 45.4 1.0 CD D:GLN493 3.3 46.1 1.0 CB D:THR465 3.3 42.4 1.0 NE2 D:GLN493 3.9 45.3 1.0 O1A D:ATP4 3.9 55.4 1.0 N D:THR465 4.0 43.1 1.0 O3G D:ATP4 4.1 49.9 1.0 O1G D:ATP4 4.1 49.8 1.0 NZ D:LYS464 4.2 56.6 1.0 O1B D:ATP4 4.2 42.8 1.0 CA D:THR465 4.2 42.7 1.0 OD2 D:ASP572 4.3 32.3 1.0 OD1 D:ASP572 4.4 29.5 1.0 CG2 D:THR465 4.4 40.6 1.0 O3A D:ATP4 4.4 51.7 1.0 CG D:GLN493 4.5 44.4 1.0 PA D:ATP4 4.6 54.5 1.0 CG D:ASP572 4.8 31.1 1.0 CB D:LYS464 4.9 43.6 1.0

H.A.Lewis, S.G.Buchanan, S.K.Burley, K.Conners, M.Dickey, M.Dorwart, R.Fowler, X.Gao, W.B.Guggino, W.A.Hendrickson, J.F.Hunt, M.C.Kearins, D.Lorimer, P.C.Maloney, K.W.Post, K.R.Rajashankar, M.E.Rutter, J.M.Sauder, S.Shriver, P.H.Thibodeau, P.J.Thomas, M.Zhang, X.Zhao, S.Emtage. Structure of Nucleotide-Binding Domain 1 of the Cystic Fibrosis Transmembrane Conductance Regulator. Embo J. V. 23 282 2004.
ISSN: ISSN 0261-4189
PubMed: 14685259
DOI: 10.1038/SJ.EMBOJ.7600040