Magnesium in PDB 6gvc: Structure of ARHGAP12 Bound to G-Actin
Protein crystallography data
The structure of Structure of ARHGAP12 Bound to G-Actin, PDB code: 6gvc
was solved by
S.Mouilleron,
R.Treisman,
J.Diring,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
54.13 /
2.60
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
101.650,
130.240,
109.300,
90.00,
111.17,
90.00
|
R / Rfree (%)
|
20.7 /
25.1
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Structure of ARHGAP12 Bound to G-Actin
(pdb code 6gvc). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Structure of ARHGAP12 Bound to G-Actin, PDB code: 6gvc:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 6gvc
Go back to
Magnesium Binding Sites List in 6gvc
Magnesium binding site 1 out
of 4 in the Structure of ARHGAP12 Bound to G-Actin
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Structure of ARHGAP12 Bound to G-Actin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg404
b:39.5
occ:1.00
|
O2B
|
B:ATP403
|
2.2
|
38.7
|
1.0
|
O2G
|
B:ATP403
|
2.3
|
38.5
|
1.0
|
O
|
B:HOH522
|
2.6
|
57.4
|
1.0
|
PG
|
B:ATP403
|
3.5
|
40.7
|
1.0
|
PB
|
B:ATP403
|
3.6
|
38.6
|
1.0
|
O3B
|
B:ATP403
|
3.9
|
39.5
|
1.0
|
O3G
|
B:ATP403
|
4.0
|
43.1
|
1.0
|
OD1
|
B:ASP11
|
4.0
|
51.3
|
1.0
|
NZ
|
B:LYS18
|
4.2
|
33.1
|
1.0
|
O
|
B:HOH501
|
4.2
|
40.4
|
1.0
|
OE1
|
B:GLN137
|
4.3
|
45.3
|
1.0
|
O2A
|
B:ATP403
|
4.3
|
39.3
|
1.0
|
CD
|
B:GLN137
|
4.4
|
43.5
|
1.0
|
O3A
|
B:ATP403
|
4.4
|
39.2
|
1.0
|
OD2
|
B:ASP11
|
4.4
|
51.2
|
1.0
|
OD1
|
B:ASP154
|
4.5
|
53.0
|
1.0
|
CA
|
B:GLY13
|
4.5
|
42.2
|
1.0
|
O
|
B:HOH515
|
4.5
|
34.3
|
1.0
|
CG
|
B:ASP11
|
4.6
|
49.5
|
1.0
|
NE2
|
B:GLN137
|
4.7
|
44.3
|
1.0
|
O1B
|
B:ATP403
|
4.7
|
36.1
|
1.0
|
CG
|
B:GLN137
|
4.8
|
40.6
|
1.0
|
O1G
|
B:ATP403
|
4.8
|
42.9
|
1.0
|
PA
|
B:ATP403
|
4.9
|
40.2
|
1.0
|
CG2
|
B:VAL339
|
5.0
|
41.1
|
1.0
|
OD2
|
B:ASP154
|
5.0
|
53.1
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 6gvc
Go back to
Magnesium Binding Sites List in 6gvc
Magnesium binding site 2 out
of 4 in the Structure of ARHGAP12 Bound to G-Actin
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Structure of ARHGAP12 Bound to G-Actin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg404
b:45.0
occ:1.00
|
O2B
|
A:ATP403
|
2.0
|
45.0
|
1.0
|
O
|
A:HOH515
|
2.1
|
45.3
|
1.0
|
O
|
A:HOH520
|
2.1
|
45.9
|
1.0
|
O2G
|
A:ATP403
|
2.2
|
46.3
|
1.0
|
O
|
A:HOH507
|
2.2
|
42.8
|
1.0
|
O
|
A:HOH521
|
2.2
|
49.6
|
1.0
|
PB
|
A:ATP403
|
3.3
|
43.4
|
1.0
|
PG
|
A:ATP403
|
3.4
|
47.0
|
1.0
|
O3B
|
A:ATP403
|
3.8
|
45.1
|
1.0
|
O3A
|
A:ATP403
|
3.8
|
43.3
|
1.0
|
O1A
|
A:ATP403
|
4.0
|
43.3
|
1.0
|
O3G
|
A:ATP403
|
4.0
|
47.6
|
1.0
|
NZ
|
A:LYS18
|
4.1
|
40.0
|
1.0
|
OD1
|
A:ASP11
|
4.2
|
52.2
|
1.0
|
PA
|
A:ATP403
|
4.4
|
41.9
|
1.0
|
OD1
|
A:ASP154
|
4.4
|
56.0
|
1.0
|
CA
|
A:GLY13
|
4.5
|
44.6
|
1.0
|
O1B
|
A:ATP403
|
4.5
|
41.8
|
1.0
|
OE1
|
A:GLN137
|
4.6
|
34.9
|
1.0
|
OD2
|
A:ASP11
|
4.7
|
51.6
|
1.0
|
O1G
|
A:ATP403
|
4.7
|
47.9
|
1.0
|
CD
|
A:GLN137
|
4.8
|
35.8
|
1.0
|
CA
|
A:GLY156
|
4.9
|
43.1
|
1.0
|
CG
|
A:ASP11
|
4.9
|
51.3
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 6gvc
Go back to
Magnesium Binding Sites List in 6gvc
Magnesium binding site 3 out
of 4 in the Structure of ARHGAP12 Bound to G-Actin
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Structure of ARHGAP12 Bound to G-Actin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg404
b:47.3
occ:1.00
|
O2B
|
C:ATP403
|
2.0
|
47.5
|
1.0
|
O
|
C:HOH524
|
2.0
|
47.0
|
1.0
|
O
|
C:HOH517
|
2.1
|
49.3
|
1.0
|
O
|
C:HOH508
|
2.3
|
29.7
|
1.0
|
O
|
C:HOH503
|
2.5
|
36.1
|
1.0
|
O2G
|
C:ATP403
|
2.5
|
47.5
|
1.0
|
PB
|
C:ATP403
|
3.4
|
47.9
|
1.0
|
PG
|
C:ATP403
|
3.6
|
49.0
|
1.0
|
OD1
|
C:ASP11
|
3.8
|
45.7
|
1.0
|
NZ
|
C:LYS18
|
3.9
|
39.4
|
1.0
|
O3B
|
C:ATP403
|
3.9
|
48.7
|
1.0
|
O2A
|
C:ATP403
|
4.0
|
45.6
|
1.0
|
O3G
|
C:ATP403
|
4.1
|
49.7
|
1.0
|
OE1
|
C:GLN137
|
4.3
|
38.6
|
1.0
|
O3A
|
C:ATP403
|
4.3
|
47.1
|
1.0
|
OD2
|
C:ASP11
|
4.4
|
45.6
|
1.0
|
CA
|
C:GLY13
|
4.5
|
53.8
|
1.0
|
O1B
|
C:ATP403
|
4.5
|
47.9
|
1.0
|
CG
|
C:ASP11
|
4.5
|
45.7
|
1.0
|
CD
|
C:GLN137
|
4.6
|
38.8
|
1.0
|
OD1
|
C:ASP154
|
4.7
|
44.7
|
1.0
|
PA
|
C:ATP403
|
4.7
|
45.5
|
1.0
|
O1G
|
C:ATP403
|
4.9
|
49.7
|
1.0
|
CG2
|
C:VAL339
|
5.0
|
32.6
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 6gvc
Go back to
Magnesium Binding Sites List in 6gvc
Magnesium binding site 4 out
of 4 in the Structure of ARHGAP12 Bound to G-Actin
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Structure of ARHGAP12 Bound to G-Actin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg404
b:43.8
occ:1.00
|
O
|
D:HOH509
|
2.0
|
44.6
|
1.0
|
O2B
|
D:ATP403
|
2.1
|
45.4
|
1.0
|
O
|
D:HOH505
|
2.3
|
41.6
|
1.0
|
O
|
D:HOH502
|
2.4
|
36.8
|
1.0
|
O3G
|
D:ATP403
|
2.5
|
47.6
|
1.0
|
PB
|
D:ATP403
|
3.5
|
45.1
|
1.0
|
O2A
|
D:ATP403
|
3.6
|
47.5
|
1.0
|
PG
|
D:ATP403
|
3.7
|
47.7
|
1.0
|
OD1
|
D:ASP11
|
3.9
|
49.6
|
1.0
|
O3B
|
D:ATP403
|
4.0
|
46.9
|
1.0
|
O3A
|
D:ATP403
|
4.3
|
47.8
|
1.0
|
NZ
|
D:LYS18
|
4.3
|
39.5
|
1.0
|
O1G
|
D:ATP403
|
4.3
|
48.3
|
1.0
|
PA
|
D:ATP403
|
4.4
|
47.5
|
1.0
|
OE1
|
D:GLN137
|
4.5
|
38.8
|
1.0
|
OD1
|
D:ASP154
|
4.5
|
50.4
|
1.0
|
OD2
|
D:ASP11
|
4.6
|
49.8
|
1.0
|
O1B
|
D:ATP403
|
4.6
|
44.3
|
1.0
|
CG
|
D:ASP11
|
4.7
|
49.7
|
1.0
|
CG2
|
D:VAL339
|
4.8
|
36.5
|
1.0
|
OD2
|
D:ASP154
|
4.8
|
50.4
|
1.0
|
CD
|
D:GLN137
|
4.8
|
36.3
|
1.0
|
CA
|
D:GLY13
|
4.9
|
44.9
|
1.0
|
O1A
|
D:ATP403
|
4.9
|
47.1
|
1.0
|
O2G
|
D:ATP403
|
5.0
|
46.6
|
1.0
|
|
Reference:
J.Diring,
S.Mouilleron,
N.Q.Mcdonald,
R.Treisman.
Rpel-Family Rhogaps Link Rac/CDC42 Gtp Loading to G-Actin Availability. Nat.Cell Biol. V. 21 845 2019.
ISSN: ISSN 1465-7392
PubMed: 31209295
DOI: 10.1038/S41556-019-0337-Y
Page generated: Tue Oct 1 01:26:04 2024
|