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Magnesium in PDB 1r0z: Phosphorylated Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide-Binding Domain One (NBD1) with Atp

Protein crystallography data

The structure of Phosphorylated Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide-Binding Domain One (NBD1) with Atp, PDB code: 1r0z 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) 24.00 / 2.35
Space group P 4 21 2
Cell size a, b, c (Å), α, β, γ (°) 171.330, 171.330, 109.870, 90.00, 90.00, 90.00
R / Rfree (%) 22.1 / 25.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Phosphorylated Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide-Binding Domain One (NBD1) with Atp (pdb code 1r0z). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Phosphorylated Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide-Binding Domain One (NBD1) with Atp, PDB code: 1r0z:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 1r0z

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Magnesium binding site 1 out of 4 in the Phosphorylated 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 Phosphorylated 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:Mg674

b:39.8
occ:1.00
OG1 A:THR465 2.3 37.1 1.0
O2G A:ATP675 2.4 48.6 1.0
OE1 A:GLN493 2.5 50.8 1.0
O2B A:ATP675 2.5 49.1 1.0
O A:HOH139 2.6 37.1 1.0
CD A:GLN493 3.0 50.9 1.0
NE2 A:GLN493 3.1 49.5 1.0
PB A:ATP675 3.5 46.2 1.0
CB A:THR465 3.6 37.6 1.0
PG A:ATP675 3.6 48.1 1.0
OD2 A:ASP572 3.7 35.4 1.0
OD1 A:ASP572 3.7 38.6 1.0
O3B A:ATP675 3.9 46.8 1.0
N A:THR465 4.0 40.2 1.0
CG A:ASP572 4.2 36.5 1.0
CA A:THR465 4.3 38.7 1.0
O3G A:ATP675 4.3 48.1 1.0
CG A:GLN493 4.3 50.0 1.0
O A:HOH169 4.4 37.4 1.0
O3A A:ATP675 4.6 44.0 1.0
CG2 A:THR465 4.6 34.6 1.0
CE A:LYS464 4.7 40.9 1.0
OG A:SER573 4.7 40.1 1.0
O1B A:ATP675 4.7 47.5 1.0
CB A:LYS464 4.7 39.9 1.0
O1G A:ATP675 4.8 47.5 1.0
NZ A:LYS464 4.9 44.1 1.0
C A:LYS464 5.0 41.0 1.0

Magnesium binding site 2 out of 4 in 1r0z

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Magnesium binding site 2 out of 4 in the Phosphorylated 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 Phosphorylated 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:Mg674

b:46.8
occ:1.00
O2G B:ATP675 2.3 47.6 1.0
O B:HOH10 2.3 44.7 1.0
OG1 B:THR465 2.4 37.0 1.0
O2B B:ATP675 2.5 51.5 1.0
OE1 B:GLN493 2.6 48.9 1.0
PG B:ATP675 3.2 44.9 1.0
CB B:THR465 3.3 38.1 1.0
O3G B:ATP675 3.4 49.0 1.0
PB B:ATP675 3.4 47.6 1.0
CD B:GLN493 3.4 50.3 1.0
O3B B:ATP675 3.5 49.2 1.0
NE2 B:GLN493 3.6 50.5 1.0
O1A B:ATP675 3.6 51.0 1.0
O B:HOH8 3.8 45.9 1.0
O3A B:ATP675 3.8 47.2 1.0
PA B:ATP675 3.9 49.3 1.0
CG2 B:THR465 4.3 36.1 1.0
N B:THR465 4.3 40.8 1.0
CA B:THR465 4.4 39.9 1.0
O1G B:ATP675 4.5 46.4 1.0
OD2 B:ASP572 4.6 31.4 1.0
O1B B:ATP675 4.8 49.4 1.0
O2A B:ATP675 4.9 51.2 1.0
OD1 B:ASP572 4.9 35.3 1.0
CG B:GLN493 4.9 49.8 1.0

Magnesium binding site 3 out of 4 in 1r0z

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Magnesium binding site 3 out of 4 in the Phosphorylated 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 Phosphorylated 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:Mg674

b:41.1
occ:1.00
O2G C:ATP675 2.2 39.5 1.0
OG1 C:THR465 2.4 34.7 1.0
O2B C:ATP675 2.4 41.0 1.0
O C:HOH225 2.5 36.9 1.0
OE1 C:GLN493 2.5 44.4 1.0
PB C:ATP675 3.3 41.0 1.0
PG C:ATP675 3.3 39.7 1.0
CB C:THR465 3.3 35.9 1.0
CD C:GLN493 3.4 47.4 1.0
O3B C:ATP675 3.5 39.2 1.0
NE2 C:GLN493 3.6 46.8 1.0
O C:HOH227 3.7 50.6 1.0
O3G C:ATP675 3.7 39.4 1.0
O3A C:ATP675 3.9 39.0 1.0
O1A C:ATP675 4.1 44.4 1.0
PA C:ATP675 4.2 44.4 1.0
CG2 C:THR465 4.3 31.4 1.0
N C:THR465 4.3 38.7 1.0
CA C:THR465 4.5 36.7 1.0
OD2 C:ASP572 4.5 31.8 1.0
O1G C:ATP675 4.6 37.3 1.0
O1B C:ATP675 4.6 41.3 1.0
OD1 C:ASP572 4.7 31.1 1.0
CG C:GLN493 4.9 45.6 1.0

Magnesium binding site 4 out of 4 in 1r0z

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Magnesium binding site 4 out of 4 in the Phosphorylated 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 Phosphorylated 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:Mg674

b:52.1
occ:1.00
O2G D:ATP675 2.2 57.6 1.0
OG1 D:THR465 2.2 42.2 1.0
OE1 D:GLN493 2.2 51.1 1.0
O2B D:ATP675 2.3 54.3 1.0
CD D:GLN493 3.1 52.3 1.0
CB D:THR465 3.2 39.6 1.0
PB D:ATP675 3.3 54.6 1.0
NE2 D:GLN493 3.3 52.4 1.0
PG D:ATP675 3.4 57.0 1.0
O3B D:ATP675 3.6 55.9 1.0
O3G D:ATP675 3.8 56.5 1.0
N D:THR465 4.0 41.1 1.0
O3A D:ATP675 4.1 57.7 1.0
CA D:THR465 4.2 40.4 1.0
OD2 D:ASP572 4.2 40.6 1.0
CG2 D:THR465 4.2 37.4 1.0
O1A D:ATP675 4.3 60.2 1.0
PA D:ATP675 4.3 61.5 1.0
OD1 D:ASP572 4.5 41.5 1.0
CG D:GLN493 4.5 50.8 1.0
O1G D:ATP675 4.6 56.9 1.0
O1B D:ATP675 4.6 54.4 1.0
CG D:ASP572 4.8 39.2 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 11:59:51 2024

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