Magnesium in PDB 6mqt: Hras Mutant Structure in Complex with Gdp
Protein crystallography data
The structure of Hras Mutant Structure in Complex with Gdp, PDB code: 6mqt
was solved by
A.K.Bera,
K.D.Westover,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
39.45 /
1.50
|
|
Space group
|
C 1 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
122.808,
79.773,
134.062,
90.00,
101.94,
90.00
|
|
R / Rfree (%)
|
15.7 /
19.5
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Hras Mutant Structure in Complex with Gdp
(pdb code 6mqt). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the
Hras Mutant Structure in Complex with Gdp, PDB code: 6mqt:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Magnesium binding site 1 out
of 8 in 6mqt
Go back to
Magnesium Binding Sites List in 6mqt
Magnesium binding site 1 out
of 8 in the Hras Mutant Structure in Complex with Gdp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Hras Mutant Structure in Complex with Gdp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg202
b:12.2
occ:1.00
|
HOB3
|
A:GDP201
|
1.7
|
14.1
|
1.0
|
|
O
|
A:HOH326
|
2.0
|
12.2
|
1.0
|
|
O3B
|
A:GDP201
|
2.0
|
11.8
|
1.0
|
|
O
|
A:HOH347
|
2.1
|
13.1
|
1.0
|
|
OG
|
A:SER17
|
2.1
|
11.4
|
1.0
|
|
O
|
A:HOH379
|
2.1
|
12.4
|
1.0
|
|
O
|
A:HOH332
|
2.2
|
11.7
|
1.0
|
|
HB2
|
A:SER17
|
3.1
|
12.1
|
1.0
|
|
CB
|
A:SER17
|
3.2
|
10.1
|
1.0
|
|
H
|
A:SER17
|
3.2
|
12.3
|
1.0
|
|
PB
|
A:GDP201
|
3.3
|
11.8
|
1.0
|
|
HOA2
|
A:GDP201
|
3.5
|
15.8
|
1.0
|
|
O1B
|
A:GDP201
|
3.6
|
13.0
|
1.0
|
|
HA
|
A:PRO34
|
3.6
|
19.1
|
1.0
|
|
HB3
|
A:SER17
|
3.8
|
12.1
|
1.0
|
|
N
|
A:SER17
|
3.8
|
10.3
|
1.0
|
|
HD2
|
A:TYR32
|
3.9
|
17.4
|
1.0
|
|
HB2
|
A:LYS16
|
3.9
|
13.0
|
1.0
|
|
CA
|
A:SER17
|
4.1
|
10.3
|
1.0
|
|
HE2
|
A:LYS16
|
4.1
|
18.3
|
1.0
|
|
OD2
|
A:ASP57
|
4.1
|
15.4
|
1.0
|
|
O2A
|
A:GDP201
|
4.2
|
13.2
|
1.0
|
|
O
|
A:ASP33
|
4.2
|
15.4
|
1.0
|
|
OD1
|
A:ASP57
|
4.2
|
13.9
|
1.0
|
|
O2B
|
A:GDP201
|
4.3
|
14.6
|
1.0
|
|
O3A
|
A:GDP201
|
4.3
|
12.5
|
1.0
|
|
O
|
A:PRO34
|
4.3
|
16.0
|
1.0
|
|
HA
|
A:SER17
|
4.4
|
12.3
|
1.0
|
|
O
|
A:THR58
|
4.4
|
15.9
|
1.0
|
|
CA
|
A:PRO34
|
4.4
|
15.9
|
1.0
|
|
CG
|
A:ASP57
|
4.5
|
14.0
|
1.0
|
|
PA
|
A:GDP201
|
4.6
|
11.7
|
1.0
|
|
O
|
A:ILE36
|
4.6
|
15.7
|
1.0
|
|
O1A
|
A:GDP201
|
4.6
|
12.1
|
1.0
|
|
C
|
A:PRO34
|
4.6
|
15.7
|
1.0
|
|
HZ3
|
A:LYS16
|
4.7
|
17.0
|
1.0
|
|
CD2
|
A:TYR32
|
4.8
|
14.5
|
1.0
|
|
HZ2
|
A:LYS16
|
4.8
|
17.0
|
1.0
|
|
HB2
|
A:ALA59
|
4.8
|
22.0
|
1.0
|
|
CB
|
A:LYS16
|
4.9
|
10.9
|
1.0
|
|
O
|
A:HOH346
|
4.9
|
18.6
|
1.0
|
|
HE2
|
A:TYR32
|
4.9
|
19.6
|
1.0
|
|
CE
|
A:LYS16
|
4.9
|
15.2
|
1.0
|
|
C
|
A:LYS16
|
4.9
|
10.3
|
1.0
|
|
Magnesium binding site 2 out
of 8 in 6mqt
Go back to
Magnesium Binding Sites List in 6mqt
Magnesium binding site 2 out
of 8 in the Hras Mutant Structure in Complex with Gdp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Hras Mutant Structure in Complex with Gdp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg202
b:16.2
occ:1.00
|
HOB3
|
B:GDP201
|
1.7
|
18.5
|
1.0
|
|
O3B
|
B:GDP201
|
2.1
|
15.4
|
1.0
|
|
OG
|
B:SER17
|
2.1
|
16.1
|
1.0
|
|
O
|
B:HOH318
|
2.1
|
15.8
|
1.0
|
|
O
|
B:HOH326
|
2.1
|
15.6
|
1.0
|
|
O
|
B:HOH343
|
2.1
|
16.2
|
1.0
|
|
O
|
B:HOH309
|
2.1
|
15.3
|
1.0
|
|
HB2
|
B:SER17
|
3.1
|
17.7
|
1.0
|
|
CB
|
B:SER17
|
3.2
|
14.8
|
1.0
|
|
PB
|
B:GDP201
|
3.3
|
15.7
|
1.0
|
|
H
|
B:SER17
|
3.3
|
17.7
|
1.0
|
|
HA
|
B:PRO34
|
3.5
|
21.6
|
1.0
|
|
O1B
|
B:GDP201
|
3.5
|
15.9
|
1.0
|
|
HD2
|
B:TYR32
|
3.7
|
27.6
|
1.0
|
|
HB3
|
B:SER17
|
3.8
|
17.7
|
1.0
|
|
HOA2
|
B:GDP201
|
3.9
|
21.7
|
1.0
|
|
N
|
B:SER17
|
3.9
|
14.7
|
1.0
|
|
HB2
|
B:LYS16
|
4.0
|
16.7
|
1.0
|
|
CA
|
B:SER17
|
4.1
|
14.5
|
1.0
|
|
HE2
|
B:LYS16
|
4.1
|
23.9
|
1.0
|
|
OD2
|
B:ASP57
|
4.1
|
18.4
|
1.0
|
|
O2A
|
B:GDP201
|
4.1
|
18.1
|
1.0
|
|
O
|
B:ASP33
|
4.2
|
17.9
|
1.0
|
|
OD1
|
B:ASP57
|
4.2
|
17.8
|
1.0
|
|
O
|
B:PRO34
|
4.3
|
19.7
|
1.0
|
|
O3A
|
B:GDP201
|
4.3
|
15.2
|
1.0
|
|
O2B
|
B:GDP201
|
4.3
|
18.8
|
1.0
|
|
HB2
|
B:ALA59
|
4.4
|
28.6
|
1.0
|
|
CA
|
B:PRO34
|
4.4
|
18.0
|
1.0
|
|
HA
|
B:SER17
|
4.4
|
17.4
|
1.0
|
|
O
|
B:THR58
|
4.5
|
18.4
|
1.0
|
|
O
|
B:ILE36
|
4.5
|
21.8
|
1.0
|
|
PA
|
B:GDP201
|
4.6
|
16.1
|
1.0
|
|
CG
|
B:ASP57
|
4.6
|
17.3
|
1.0
|
|
C
|
B:PRO34
|
4.6
|
18.8
|
1.0
|
|
CD2
|
B:TYR32
|
4.6
|
23.0
|
1.0
|
|
O1A
|
B:GDP201
|
4.7
|
16.3
|
1.0
|
|
HZ2
|
B:LYS16
|
4.7
|
21.6
|
1.0
|
|
HE2
|
B:TYR32
|
4.8
|
31.3
|
1.0
|
|
HZ1
|
B:LYS16
|
4.8
|
21.6
|
1.0
|
|
CB
|
B:LYS16
|
4.9
|
14.0
|
1.0
|
|
HB3
|
B:TYR32
|
4.9
|
24.9
|
1.0
|
|
HA
|
B:ALA59
|
4.9
|
25.8
|
1.0
|
|
O
|
B:HOH345
|
5.0
|
22.1
|
1.0
|
|
CE
|
B:LYS16
|
5.0
|
19.9
|
1.0
|
|
C
|
B:LYS16
|
5.0
|
15.6
|
1.0
|
|
O
|
B:TYR32
|
5.0
|
18.3
|
1.0
|
|
Magnesium binding site 3 out
of 8 in 6mqt
Go back to
Magnesium Binding Sites List in 6mqt
Magnesium binding site 3 out
of 8 in the Hras Mutant Structure in Complex with Gdp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Hras Mutant Structure in Complex with Gdp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg202
b:14.2
occ:1.00
|
HOB3
|
C:GDP201
|
1.7
|
18.7
|
1.0
|
|
O
|
C:HOH315
|
2.1
|
15.9
|
1.0
|
|
O3B
|
C:GDP201
|
2.1
|
15.6
|
1.0
|
|
O
|
C:HOH307
|
2.1
|
15.7
|
1.0
|
|
OG
|
C:SER17
|
2.1
|
14.5
|
1.0
|
|
O
|
C:HOH306
|
2.1
|
15.6
|
1.0
|
|
O
|
C:HOH332
|
2.1
|
15.4
|
1.0
|
|
HB2
|
C:SER17
|
3.1
|
15.4
|
1.0
|
|
CB
|
C:SER17
|
3.2
|
12.8
|
1.0
|
|
PB
|
C:GDP201
|
3.3
|
15.0
|
1.0
|
|
H
|
C:SER17
|
3.4
|
16.9
|
1.0
|
|
HA
|
C:PRO34
|
3.5
|
18.9
|
1.0
|
|
O1B
|
C:GDP201
|
3.5
|
16.2
|
1.0
|
|
HD2
|
C:TYR32
|
3.7
|
25.8
|
1.0
|
|
HOA2
|
C:GDP201
|
3.7
|
21.9
|
1.0
|
|
HB3
|
C:SER17
|
3.8
|
15.4
|
1.0
|
|
N
|
C:SER17
|
3.9
|
14.1
|
1.0
|
|
HB2
|
C:LYS16
|
4.0
|
16.1
|
1.0
|
|
CA
|
C:SER17
|
4.1
|
12.8
|
1.0
|
|
OD2
|
C:ASP57
|
4.1
|
16.9
|
1.0
|
|
O2A
|
C:GDP201
|
4.1
|
18.2
|
1.0
|
|
HE2
|
C:LYS16
|
4.2
|
20.9
|
1.0
|
|
O
|
C:ASP33
|
4.2
|
19.1
|
1.0
|
|
OD1
|
C:ASP57
|
4.2
|
16.8
|
1.0
|
|
O3A
|
C:GDP201
|
4.3
|
14.9
|
1.0
|
|
O
|
C:PRO34
|
4.3
|
17.6
|
1.0
|
|
O2B
|
C:GDP201
|
4.3
|
18.4
|
1.0
|
|
CA
|
C:PRO34
|
4.4
|
15.8
|
1.0
|
|
HA
|
C:SER17
|
4.4
|
15.3
|
1.0
|
|
O
|
C:THR58
|
4.4
|
16.9
|
1.0
|
|
PA
|
C:GDP201
|
4.5
|
15.3
|
1.0
|
|
HB2
|
C:ALA59
|
4.6
|
29.7
|
1.0
|
|
O
|
C:ILE36
|
4.6
|
20.2
|
1.0
|
|
CG
|
C:ASP57
|
4.6
|
14.8
|
1.0
|
|
CD2
|
C:TYR32
|
4.6
|
21.5
|
1.0
|
|
C
|
C:PRO34
|
4.6
|
17.3
|
1.0
|
|
HZ2
|
C:LYS16
|
4.7
|
19.8
|
1.0
|
|
O1A
|
C:GDP201
|
4.7
|
16.7
|
1.0
|
|
HZ1
|
C:LYS16
|
4.7
|
19.8
|
1.0
|
|
HE2
|
C:TYR32
|
4.8
|
28.5
|
1.0
|
|
HB3
|
C:TYR32
|
4.8
|
21.6
|
1.0
|
|
HA
|
C:ALA59
|
4.8
|
26.1
|
1.0
|
|
O
|
C:TYR32
|
4.9
|
17.8
|
1.0
|
|
O
|
C:HOH333
|
4.9
|
21.8
|
1.0
|
|
CB
|
C:LYS16
|
5.0
|
13.4
|
1.0
|
|
NZ
|
C:LYS16
|
5.0
|
16.5
|
1.0
|
|
Magnesium binding site 4 out
of 8 in 6mqt
Go back to
Magnesium Binding Sites List in 6mqt
Magnesium binding site 4 out
of 8 in the Hras Mutant Structure in Complex with Gdp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Hras Mutant Structure in Complex with Gdp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg202
b:14.0
occ:1.00
|
HOB3
|
D:GDP201
|
1.7
|
16.2
|
1.0
|
|
O3B
|
D:GDP201
|
2.0
|
13.5
|
1.0
|
|
O
|
D:HOH332
|
2.1
|
13.3
|
1.0
|
|
O
|
D:HOH350
|
2.1
|
15.6
|
1.0
|
|
OG
|
D:SER17
|
2.1
|
12.8
|
1.0
|
|
O
|
D:HOH359
|
2.1
|
14.3
|
1.0
|
|
O
|
D:HOH337
|
2.2
|
13.4
|
1.0
|
|
HB2
|
D:SER17
|
3.1
|
14.5
|
1.0
|
|
CB
|
D:SER17
|
3.2
|
12.1
|
1.0
|
|
H
|
D:SER17
|
3.2
|
13.4
|
1.0
|
|
PB
|
D:GDP201
|
3.3
|
13.3
|
1.0
|
|
HA
|
D:PRO34
|
3.5
|
22.4
|
1.0
|
|
O1B
|
D:GDP201
|
3.6
|
14.5
|
1.0
|
|
HOA2
|
D:GDP201
|
3.6
|
17.9
|
1.0
|
|
HD2
|
D:TYR32
|
3.8
|
22.2
|
1.0
|
|
N
|
D:SER17
|
3.8
|
11.1
|
1.0
|
|
HB3
|
D:SER17
|
3.8
|
14.5
|
1.0
|
|
HB2
|
D:LYS16
|
3.9
|
13.2
|
1.0
|
|
CA
|
D:SER17
|
4.1
|
12.2
|
1.0
|
|
OD2
|
D:ASP57
|
4.1
|
15.6
|
1.0
|
|
HE2
|
D:LYS16
|
4.1
|
20.2
|
1.0
|
|
O2A
|
D:GDP201
|
4.1
|
14.9
|
1.0
|
|
OD1
|
D:ASP57
|
4.2
|
15.5
|
1.0
|
|
O
|
D:ASP33
|
4.2
|
18.8
|
1.0
|
|
O3A
|
D:GDP201
|
4.3
|
13.9
|
1.0
|
|
O2B
|
D:GDP201
|
4.3
|
18.1
|
1.0
|
|
O
|
D:PRO34
|
4.3
|
19.1
|
1.0
|
|
HA
|
D:SER17
|
4.4
|
14.7
|
1.0
|
|
CA
|
D:PRO34
|
4.4
|
18.7
|
1.0
|
|
O
|
D:THR58
|
4.5
|
15.5
|
1.0
|
|
CG
|
D:ASP57
|
4.5
|
14.6
|
1.0
|
|
PA
|
D:GDP201
|
4.5
|
13.9
|
1.0
|
|
HZ2
|
D:LYS16
|
4.6
|
18.4
|
1.0
|
|
C
|
D:PRO34
|
4.6
|
18.4
|
1.0
|
|
O
|
D:ILE36
|
4.6
|
17.0
|
1.0
|
|
O1A
|
D:GDP201
|
4.7
|
14.0
|
1.0
|
|
CD2
|
D:TYR32
|
4.7
|
18.5
|
1.0
|
|
HZ1
|
D:LYS16
|
4.7
|
18.4
|
1.0
|
|
HE2
|
D:TYR32
|
4.9
|
23.1
|
1.0
|
|
CB
|
D:LYS16
|
4.9
|
11.0
|
1.0
|
|
HB2
|
D:ALA59
|
4.9
|
27.8
|
1.0
|
|
O
|
D:HOH347
|
4.9
|
18.9
|
1.0
|
|
C
|
D:LYS16
|
4.9
|
10.8
|
1.0
|
|
HG22
|
D:ILE36
|
4.9
|
29.3
|
1.0
|
|
CE
|
D:LYS16
|
4.9
|
16.8
|
1.0
|
|
NZ
|
D:LYS16
|
5.0
|
15.3
|
1.0
|
|
Magnesium binding site 5 out
of 8 in 6mqt
Go back to
Magnesium Binding Sites List in 6mqt
Magnesium binding site 5 out
of 8 in the Hras Mutant Structure in Complex with Gdp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Hras Mutant Structure in Complex with Gdp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg202
b:14.0
occ:1.00
|
HOB3
|
E:GDP201
|
1.7
|
15.3
|
1.0
|
|
O3B
|
E:GDP201
|
2.0
|
12.8
|
1.0
|
|
O
|
E:HOH325
|
2.0
|
13.1
|
1.0
|
|
O
|
E:HOH335
|
2.1
|
14.1
|
1.0
|
|
OG
|
E:SER17
|
2.1
|
12.7
|
1.0
|
|
O
|
E:HOH366
|
2.1
|
14.1
|
1.0
|
|
O
|
E:HOH336
|
2.2
|
13.8
|
1.0
|
|
HB2
|
E:SER17
|
3.1
|
14.0
|
1.0
|
|
CB
|
E:SER17
|
3.2
|
11.7
|
1.0
|
|
H
|
E:SER17
|
3.2
|
13.9
|
1.0
|
|
PB
|
E:GDP201
|
3.3
|
13.4
|
1.0
|
|
HA
|
E:PRO34
|
3.5
|
19.7
|
1.0
|
|
O1B
|
E:GDP201
|
3.5
|
14.6
|
1.0
|
|
HOA2
|
E:GDP201
|
3.6
|
17.8
|
1.0
|
|
HD2
|
E:TYR32
|
3.8
|
22.2
|
1.0
|
|
HB3
|
E:SER17
|
3.8
|
14.0
|
1.0
|
|
N
|
E:SER17
|
3.9
|
11.6
|
1.0
|
|
HB2
|
E:LYS16
|
4.0
|
14.3
|
1.0
|
|
CA
|
E:SER17
|
4.1
|
11.9
|
1.0
|
|
HE2
|
E:LYS16
|
4.1
|
18.8
|
1.0
|
|
OD2
|
E:ASP57
|
4.1
|
16.3
|
1.0
|
|
O2A
|
E:GDP201
|
4.1
|
14.8
|
1.0
|
|
OD1
|
E:ASP57
|
4.2
|
14.5
|
1.0
|
|
O
|
E:ASP33
|
4.2
|
17.4
|
1.0
|
|
O3A
|
E:GDP201
|
4.3
|
12.9
|
1.0
|
|
O2B
|
E:GDP201
|
4.3
|
17.8
|
1.0
|
|
O
|
E:PRO34
|
4.3
|
17.8
|
1.0
|
|
HA
|
E:SER17
|
4.4
|
14.3
|
1.0
|
|
CA
|
E:PRO34
|
4.4
|
16.4
|
1.0
|
|
O
|
E:THR58
|
4.4
|
15.7
|
1.0
|
|
CG
|
E:ASP57
|
4.5
|
14.4
|
1.0
|
|
PA
|
E:GDP201
|
4.5
|
14.3
|
1.0
|
|
C
|
E:PRO34
|
4.6
|
17.1
|
1.0
|
|
O
|
E:ILE36
|
4.6
|
15.6
|
1.0
|
|
O1A
|
E:GDP201
|
4.6
|
13.9
|
1.0
|
|
HZ3
|
E:LYS16
|
4.7
|
17.3
|
1.0
|
|
CD2
|
E:TYR32
|
4.7
|
18.6
|
1.0
|
|
HZ2
|
E:LYS16
|
4.8
|
17.3
|
1.0
|
|
HG22
|
E:ILE36
|
4.8
|
29.4
|
1.0
|
|
CB
|
E:LYS16
|
4.9
|
11.9
|
1.0
|
|
HB2
|
E:ALA59
|
4.9
|
23.8
|
1.0
|
|
HB3
|
E:TYR32
|
4.9
|
20.6
|
1.0
|
|
HE2
|
E:TYR32
|
4.9
|
22.8
|
1.0
|
|
CE
|
E:LYS16
|
4.9
|
15.7
|
1.0
|
|
O
|
E:HOH345
|
5.0
|
19.9
|
1.0
|
|
C
|
E:LYS16
|
5.0
|
10.4
|
1.0
|
|
Magnesium binding site 6 out
of 8 in 6mqt
Go back to
Magnesium Binding Sites List in 6mqt
Magnesium binding site 6 out
of 8 in the Hras Mutant Structure in Complex with Gdp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Hras Mutant Structure in Complex with Gdp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg202
b:11.9
occ:1.00
|
HOB3
|
F:GDP201
|
1.7
|
14.5
|
1.0
|
|
O3B
|
F:GDP201
|
2.0
|
12.1
|
1.0
|
|
O
|
F:HOH322
|
2.1
|
11.4
|
1.0
|
|
OG
|
F:SER17
|
2.1
|
10.9
|
1.0
|
|
O
|
F:HOH346
|
2.1
|
12.6
|
1.0
|
|
O
|
F:HOH362
|
2.1
|
12.3
|
1.0
|
|
O
|
F:HOH336
|
2.1
|
11.0
|
1.0
|
|
HB2
|
F:SER17
|
3.1
|
11.7
|
1.0
|
|
CB
|
F:SER17
|
3.2
|
9.8
|
1.0
|
|
H
|
F:SER17
|
3.2
|
12.1
|
1.0
|
|
PB
|
F:GDP201
|
3.3
|
10.9
|
1.0
|
|
HOA2
|
F:GDP201
|
3.5
|
16.1
|
1.0
|
|
O1B
|
F:GDP201
|
3.6
|
12.2
|
1.0
|
|
HA
|
F:PRO34
|
3.6
|
17.1
|
1.0
|
|
HB3
|
F:SER17
|
3.8
|
11.7
|
1.0
|
|
HD2
|
F:TYR32
|
3.8
|
16.8
|
1.0
|
|
N
|
F:SER17
|
3.9
|
10.1
|
1.0
|
|
HB2
|
F:LYS16
|
3.9
|
10.9
|
1.0
|
|
HE2
|
F:LYS16
|
4.1
|
17.5
|
1.0
|
|
CA
|
F:SER17
|
4.1
|
9.7
|
1.0
|
|
OD2
|
F:ASP57
|
4.1
|
13.8
|
1.0
|
|
O
|
F:ASP33
|
4.1
|
13.9
|
1.0
|
|
O2A
|
F:GDP201
|
4.2
|
13.4
|
1.0
|
|
OD1
|
F:ASP57
|
4.2
|
13.6
|
1.0
|
|
O2B
|
F:GDP201
|
4.3
|
13.6
|
1.0
|
|
O3A
|
F:GDP201
|
4.3
|
11.6
|
1.0
|
|
O
|
F:PRO34
|
4.3
|
14.3
|
1.0
|
|
HA
|
F:SER17
|
4.4
|
11.6
|
1.0
|
|
O
|
F:THR58
|
4.5
|
14.5
|
1.0
|
|
CA
|
F:PRO34
|
4.5
|
14.3
|
1.0
|
|
CG
|
F:ASP57
|
4.5
|
13.1
|
1.0
|
|
PA
|
F:GDP201
|
4.6
|
11.6
|
1.0
|
|
O
|
F:ILE36
|
4.6
|
14.2
|
1.0
|
|
O1A
|
F:GDP201
|
4.6
|
12.1
|
1.0
|
|
C
|
F:PRO34
|
4.6
|
13.8
|
1.0
|
|
HZ2
|
F:LYS16
|
4.7
|
17.1
|
1.0
|
|
CD2
|
F:TYR32
|
4.7
|
14.0
|
1.0
|
|
HZ1
|
F:LYS16
|
4.8
|
17.1
|
1.0
|
|
HB2
|
F:ALA59
|
4.8
|
21.6
|
1.0
|
|
HE2
|
F:TYR32
|
4.8
|
19.0
|
1.0
|
|
O
|
F:HOH351
|
4.9
|
17.0
|
1.0
|
|
CB
|
F:LYS16
|
4.9
|
9.1
|
1.0
|
|
CE
|
F:LYS16
|
4.9
|
14.6
|
1.0
|
|
C
|
F:LYS16
|
5.0
|
9.1
|
1.0
|
|
Magnesium binding site 7 out
of 8 in 6mqt
Go back to
Magnesium Binding Sites List in 6mqt
Magnesium binding site 7 out
of 8 in the Hras Mutant Structure in Complex with Gdp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Hras Mutant Structure in Complex with Gdp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mg202
b:17.8
occ:1.00
|
HOB3
|
G:GDP201
|
1.8
|
18.9
|
1.0
|
|
OG
|
G:SER17
|
2.1
|
16.7
|
1.0
|
|
O3B
|
G:GDP201
|
2.1
|
15.7
|
1.0
|
|
O
|
G:HOH327
|
2.1
|
17.2
|
1.0
|
|
O
|
G:HOH351
|
2.1
|
20.5
|
1.0
|
|
O
|
G:HOH336
|
2.1
|
17.8
|
1.0
|
|
O
|
G:HOH337
|
2.1
|
17.1
|
1.0
|
|
HB2
|
G:SER17
|
3.1
|
19.0
|
1.0
|
|
CB
|
G:SER17
|
3.2
|
15.8
|
1.0
|
|
PB
|
G:GDP201
|
3.3
|
16.9
|
1.0
|
|
H
|
G:SER17
|
3.3
|
17.4
|
1.0
|
|
HA
|
G:PRO34
|
3.5
|
27.9
|
1.0
|
|
HD2
|
G:TYR32
|
3.6
|
37.2
|
1.0
|
|
O1B
|
G:GDP201
|
3.6
|
18.3
|
1.0
|
|
HB3
|
G:SER17
|
3.8
|
19.0
|
1.0
|
|
N
|
G:SER17
|
3.9
|
14.5
|
1.0
|
|
HB2
|
G:LYS16
|
4.0
|
18.1
|
1.0
|
|
OD2
|
G:ASP57
|
4.0
|
20.4
|
1.0
|
|
CA
|
G:SER17
|
4.1
|
13.7
|
1.0
|
|
O2A
|
G:GDP201
|
4.1
|
20.1
|
1.0
|
|
HE2
|
G:LYS16
|
4.2
|
23.1
|
1.0
|
|
HOA2
|
G:GDP201
|
4.2
|
24.1
|
1.0
|
|
OD1
|
G:ASP57
|
4.2
|
18.9
|
1.0
|
|
O
|
G:ASP33
|
4.3
|
26.4
|
1.0
|
|
O
|
G:PRO34
|
4.3
|
23.2
|
1.0
|
|
O3A
|
G:GDP201
|
4.3
|
16.7
|
1.0
|
|
O2B
|
G:GDP201
|
4.4
|
21.9
|
1.0
|
|
CA
|
G:PRO34
|
4.4
|
23.3
|
1.0
|
|
HA
|
G:SER17
|
4.4
|
16.5
|
1.0
|
|
CD2
|
G:TYR32
|
4.5
|
31.0
|
1.0
|
|
O
|
G:THR58
|
4.5
|
19.2
|
1.0
|
|
CG
|
G:ASP57
|
4.5
|
18.2
|
1.0
|
|
O
|
G:ILE36
|
4.6
|
24.4
|
1.0
|
|
PA
|
G:GDP201
|
4.6
|
17.6
|
1.0
|
|
HE2
|
G:TYR32
|
4.6
|
40.8
|
1.0
|
|
C
|
G:PRO34
|
4.6
|
23.5
|
1.0
|
|
HA
|
G:ALA59
|
4.7
|
33.0
|
1.0
|
|
O1A
|
G:GDP201
|
4.7
|
19.5
|
1.0
|
|
HZ1
|
G:LYS16
|
4.8
|
23.4
|
1.0
|
|
HB3
|
G:TYR32
|
4.8
|
37.5
|
1.0
|
|
HZ3
|
G:LYS16
|
4.9
|
23.4
|
1.0
|
|
O
|
G:TYR32
|
4.9
|
27.1
|
1.0
|
|
CB
|
G:LYS16
|
4.9
|
15.1
|
1.0
|
|
CE2
|
G:TYR32
|
5.0
|
34.0
|
1.0
|
|
Magnesium binding site 8 out
of 8 in 6mqt
Go back to
Magnesium Binding Sites List in 6mqt
Magnesium binding site 8 out
of 8 in the Hras Mutant Structure in Complex with Gdp
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Hras Mutant Structure in Complex with Gdp within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Mg202
b:19.0
occ:1.00
|
HOB3
|
H:GDP201
|
1.7
|
19.6
|
1.0
|
|
O3B
|
H:GDP201
|
2.0
|
16.3
|
1.0
|
|
OG
|
H:SER17
|
2.0
|
16.8
|
1.0
|
|
O
|
H:HOH616
|
2.1
|
21.6
|
1.0
|
|
O
|
H:HOH614
|
2.1
|
18.2
|
1.0
|
|
O
|
H:HOH617
|
2.1
|
18.4
|
1.0
|
|
O
|
H:HOH628
|
2.2
|
18.6
|
1.0
|
|
HB2
|
H:SER17
|
3.1
|
18.1
|
1.0
|
|
CB
|
H:SER17
|
3.1
|
15.1
|
1.0
|
|
H
|
H:SER17
|
3.3
|
18.0
|
1.0
|
|
PB
|
H:GDP201
|
3.3
|
17.7
|
1.0
|
|
HA
|
H:PRO34
|
3.5
|
26.2
|
1.0
|
|
O1B
|
H:GDP201
|
3.6
|
19.4
|
1.0
|
|
HD2
|
H:TYR32
|
3.6
|
31.7
|
1.0
|
|
HB3
|
H:SER17
|
3.8
|
18.1
|
1.0
|
|
N
|
H:SER17
|
3.9
|
15.0
|
1.0
|
|
HB2
|
H:LYS16
|
3.9
|
18.8
|
1.0
|
|
OD2
|
H:ASP57
|
4.0
|
21.2
|
1.0
|
|
HE2
|
H:LYS16
|
4.0
|
24.0
|
1.0
|
|
CA
|
H:SER17
|
4.1
|
14.2
|
1.0
|
|
HOA2
|
H:GDP201
|
4.1
|
23.2
|
1.0
|
|
O2A
|
H:GDP201
|
4.1
|
19.3
|
1.0
|
|
OD1
|
H:ASP57
|
4.2
|
19.5
|
1.0
|
|
O
|
H:ASP33
|
4.3
|
23.6
|
1.0
|
|
O3A
|
H:GDP201
|
4.3
|
16.8
|
1.0
|
|
O
|
H:PRO34
|
4.3
|
25.0
|
1.0
|
|
O2B
|
H:GDP201
|
4.3
|
21.7
|
1.0
|
|
CA
|
H:PRO34
|
4.4
|
21.8
|
1.0
|
|
HA
|
H:SER17
|
4.4
|
17.0
|
1.0
|
|
CD2
|
H:TYR32
|
4.5
|
26.4
|
1.0
|
|
O
|
H:THR58
|
4.5
|
20.6
|
1.0
|
|
CG
|
H:ASP57
|
4.5
|
17.7
|
1.0
|
|
PA
|
H:GDP201
|
4.5
|
17.3
|
1.0
|
|
O1A
|
H:GDP201
|
4.6
|
19.4
|
1.0
|
|
O
|
H:ILE36
|
4.6
|
25.5
|
1.0
|
|
C
|
H:PRO34
|
4.6
|
23.5
|
1.0
|
|
HB3
|
H:TYR32
|
4.7
|
31.3
|
1.0
|
|
HA
|
H:ALA59
|
4.7
|
35.6
|
1.0
|
|
HE2
|
H:TYR32
|
4.7
|
35.3
|
1.0
|
|
HZ2
|
H:LYS16
|
4.7
|
24.3
|
1.0
|
|
HZ1
|
H:LYS16
|
4.8
|
24.3
|
1.0
|
|
O
|
H:TYR32
|
4.8
|
22.6
|
1.0
|
|
CB
|
H:LYS16
|
4.9
|
15.6
|
1.0
|
|
CE
|
H:LYS16
|
4.9
|
20.0
|
1.0
|
|
C
|
H:LYS16
|
5.0
|
13.8
|
1.0
|
|
O
|
H:HOH639
|
5.0
|
22.3
|
1.0
|
|
Reference:
A.K.Bera,
K.D.Westover.
Hras Mutant Structure in Complex with Gdp To Be Published.
Page generated: Mon Dec 14 23:38:09 2020
|
