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

Protein crystallography data

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

Magnesium Binding Sites:

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 1q3h

Go back to Magnesium Binding Sites List in 1q3h
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 1q3h

Go back to Magnesium Binding Sites List in 1q3h
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 1q3h

Go back to Magnesium Binding Sites List in 1q3h
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 1q3h

Go back to Magnesium Binding Sites List in 1q3h
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

Reference:

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
Page generated: Tue Aug 13 11:04:35 2024

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