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
|