Magnesium in PDB 1q3h: Mouse Cftr NBD1 with Amp.Pnp

The structure of Mouse Cftr NBD1 with Amp.Pnp, PDB code: 1q3h 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)	33.00 / 2.50
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	171.680, 171.680, 109.590, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 25.7

The binding sites of Magnesium atom in the Mouse Cftr NBD1 with Amp.Pnp (pdb code 1q3h). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Mouse Cftr NBD1 with Amp.Pnp, PDB code: 1q3h:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Mouse Cftr NBD1 with Amp.Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mouse Cftr NBD1 with Amp.Pnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg674 b:37.3 occ:1.00 OG1 A:THR465 2.1 24.0 1.0 OE1 A:GLN493 2.1 44.6 1.0 O2G A:ANP201 2.2 39.2 1.0 O2B A:ANP201 2.3 39.0 1.0 CD A:GLN493 3.1 44.1 1.0 CB A:THR465 3.3 23.4 1.0 PB A:ANP201 3.5 39.3 1.0 PG A:ANP201 3.5 41.0 1.0 N3B A:ANP201 3.7 38.9 1.0 OD2 A:ASP572 3.7 25.2 1.0 NE2 A:GLN493 3.8 44.2 1.0 N A:THR465 3.9 26.5 1.0 OD1 A:ASP572 4.0 31.7 1.0 CA A:THR465 4.1 25.6 1.0 CG A:GLN493 4.2 42.1 1.0 O1A A:ANP201 4.2 38.5 1.0 CG A:ASP572 4.3 27.9 1.0 CG2 A:THR465 4.4 21.1 1.0 O1B A:ANP201 4.5 38.3 1.0 O3G A:ANP201 4.5 41.9 1.0 O1G A:ANP201 4.5 42.2 1.0 O3A A:ANP201 4.7 38.4 1.0 CE A:LYS464 4.9 23.3 1.0 CB A:LYS464 4.9 24.2 1.0 PA A:ANP201 4.9 40.4 1.0 OG A:SER573 5.0 25.1 1.0 C A:LYS464 5.0 27.4 1.0

Magnesium binding site 2 out of 4 in the Mouse Cftr NBD1 with Amp.Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Mouse Cftr NBD1 with Amp.Pnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg674 b:31.1 occ:1.00 OG1 B:THR465 2.0 20.3 1.0 O2G B:ANP202 2.2 28.8 1.0 O2B B:ANP202 2.2 29.6 1.0 OE1 B:GLN493 2.3 32.5 1.0 CB B:THR465 3.2 18.6 1.0 CD B:GLN493 3.3 37.4 1.0 PB B:ANP202 3.4 31.7 1.0 PG B:ANP202 3.5 30.3 1.0 N3B B:ANP202 3.7 28.9 1.0 NE2 B:GLN493 3.7 37.6 1.0 OD2 B:ASP572 3.9 20.1 1.0 N B:THR465 3.9 22.4 1.0 O1A B:ANP202 4.1 36.7 1.0 CA B:THR465 4.1 20.1 1.0 OD1 B:ASP572 4.1 25.6 1.0 CG2 B:THR465 4.3 16.9 1.0 CG B:ASP572 4.4 24.9 1.0 O3G B:ANP202 4.4 33.1 1.0 O1B B:ANP202 4.5 32.9 1.0 O1G B:ANP202 4.6 30.7 1.0 O3A B:ANP202 4.6 32.9 1.0 CG B:GLN493 4.7 37.2 1.0 PA B:ANP202 4.8 35.3 1.0 CB B:GLN493 5.0 35.8 1.0 CB B:LYS464 5.0 22.7 1.0 C B:LYS464 5.0 23.6 1.0

Magnesium binding site 3 out of 4 in the Mouse Cftr NBD1 with Amp.Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Mouse Cftr NBD1 with Amp.Pnp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg674 b:31.0 occ:1.00 O2G C:ANP203 2.1 36.2 1.0 OG1 C:THR465 2.2 23.3 1.0 O2B C:ANP203 2.2 36.9 1.0 O C:HOH129 2.3 22.6 1.0 O C:HOH38 2.3 20.0 1.0 OE1 C:GLN493 2.4 37.6 1.0 CD C:GLN493 3.3 39.4 1.0 CB C:THR465 3.3 23.7 1.0 PB C:ANP203 3.3 37.5 1.0 PG C:ANP203 3.4 39.2 1.0 NE2 C:GLN493 3.5 39.3 1.0 N3B C:ANP203 3.5 38.2 1.0 N C:THR465 4.0 23.7 1.0 O1A C:ANP203 4.0 38.0 1.0 OD2 C:ASP572 4.1 23.7 1.0 OD1 C:ASP572 4.1 25.3 1.0 CA C:THR465 4.2 24.2 1.0 O3G C:ANP203 4.3 41.0 1.0 O1B C:ANP203 4.3 36.4 1.0 CG2 C:THR465 4.4 22.1 1.0 O3A C:ANP203 4.5 38.2 1.0 O1G C:ANP203 4.5 39.3 1.0 CG C:ASP572 4.5 23.2 1.0 PA C:ANP203 4.7 37.6 1.0 CG C:GLN493 4.7 37.1 1.0 CE C:LYS464 4.9 22.9 1.0 CB C:LYS464 5.0 22.4 1.0

Magnesium binding site 4 out of 4 in the Mouse Cftr NBD1 with Amp.Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Mouse Cftr NBD1 with Amp.Pnp within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg674 b:43.4 occ:1.00 OG1 D:THR465 2.1 30.5 1.0 O D:HOH6 2.2 36.0 1.0 O2G D:ANP204 2.2 40.7 1.0 OE1 D:GLN493 2.3 40.7 1.0 O2B D:ANP204 2.3 39.7 1.0 CB D:THR465 3.3 29.6 1.0 CD D:GLN493 3.4 42.6 1.0 PG D:ANP204 3.4 41.3 1.0 PB D:ANP204 3.5 39.9 1.0 N3B D:ANP204 3.5 40.6 1.0 NE2 D:GLN493 3.8 43.5 1.0 O1A D:ANP204 3.8 47.8 1.0 N D:THR465 4.0 31.8 1.0 OD2 D:ASP572 4.1 29.2 1.0 CA D:THR465 4.2 31.2 1.0 CG2 D:THR465 4.3 29.1 1.0 OD1 D:ASP572 4.4 27.2 1.0 O3G D:ANP204 4.5 42.6 1.0 O1G D:ANP204 4.5 41.3 1.0 O1B D:ANP204 4.5 40.5 1.0 O3A D:ANP204 4.6 45.8 1.0 CG D:ASP572 4.7 29.2 1.0 CG D:GLN493 4.7 40.8 1.0 PA D:ANP204 4.7 49.4 1.0 CB D:GLN493 5.0 39.0 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