Magnesium in PDB 4xgp: Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium Co-Crystallized and Soaked with Amp.
Enzymatic activity of Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium Co-Crystallized and Soaked with Amp.
All present enzymatic activity of Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium Co-Crystallized and Soaked with Amp.:
3.1.3.5;
3.1.3.6;
3.6.1.11;
Protein crystallography data
The structure of Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium Co-Crystallized and Soaked with Amp., PDB code: 4xgp
was solved by
Y.K.Mathiharan,
M.R.N.Murthy,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
32.87 /
1.90
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
162.520,
96.230,
93.940,
90.00,
98.41,
90.00
|
R / Rfree (%)
|
18.9 /
24
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium Co-Crystallized and Soaked with Amp.
(pdb code 4xgp). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium Co-Crystallized and Soaked with Amp., PDB code: 4xgp:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 4xgp
Go back to
Magnesium Binding Sites List in 4xgp
Magnesium binding site 1 out
of 4 in the Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium Co-Crystallized and Soaked with Amp.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium Co-Crystallized and Soaked with Amp. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg301
b:28.8
occ:1.00
|
OD1
|
A:ASP9
|
2.3
|
38.2
|
1.0
|
O
|
A:HOH651
|
2.3
|
31.9
|
1.0
|
O2
|
A:PO4302
|
2.3
|
35.9
|
0.8
|
OD1
|
A:ASN92
|
2.3
|
26.1
|
1.0
|
OG
|
A:SER39
|
2.5
|
34.1
|
1.0
|
OD1
|
A:ASP8
|
2.5
|
35.8
|
1.0
|
O
|
A:HOH656
|
2.9
|
51.6
|
1.0
|
CG
|
A:ASP9
|
3.2
|
39.6
|
1.0
|
CG
|
A:ASN92
|
3.2
|
34.1
|
1.0
|
CB
|
A:SER39
|
3.3
|
30.8
|
1.0
|
OD2
|
A:ASP9
|
3.5
|
48.2
|
1.0
|
ND2
|
A:ASN92
|
3.5
|
29.3
|
1.0
|
CG
|
A:ASP8
|
3.6
|
34.8
|
1.0
|
P
|
A:PO4302
|
3.7
|
39.0
|
0.8
|
O
|
A:HOH664
|
3.9
|
52.0
|
1.0
|
OD2
|
A:ASP8
|
4.0
|
40.3
|
1.0
|
CA
|
A:SER39
|
4.0
|
30.9
|
0.7
|
O1
|
A:PO4302
|
4.1
|
25.8
|
1.0
|
O
|
A:HOH652
|
4.3
|
41.8
|
1.0
|
N
|
A:ASP9
|
4.4
|
27.4
|
1.0
|
C
|
A:ASP8
|
4.5
|
23.7
|
1.0
|
CB
|
A:ASP9
|
4.5
|
32.7
|
1.0
|
O
|
A:HOH687
|
4.5
|
41.2
|
1.0
|
O4
|
A:PO4302
|
4.5
|
37.7
|
0.8
|
OG1
|
A:THR106
|
4.6
|
21.8
|
1.0
|
N
|
A:SER39
|
4.6
|
30.6
|
0.7
|
O3
|
A:PO4302
|
4.6
|
40.2
|
0.8
|
CA
|
A:ASP9
|
4.6
|
30.1
|
1.0
|
CB
|
A:ASN92
|
4.7
|
26.6
|
1.0
|
OD1
|
A:ASN37
|
4.7
|
40.0
|
1.0
|
O
|
A:ALA93
|
4.8
|
33.5
|
1.0
|
O
|
A:ASP8
|
4.8
|
27.1
|
1.0
|
CB
|
A:ASP8
|
4.8
|
34.4
|
1.0
|
N
|
A:ALA93
|
5.0
|
31.6
|
1.0
|
CA
|
A:ASP8
|
5.0
|
26.6
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 4xgp
Go back to
Magnesium Binding Sites List in 4xgp
Magnesium binding site 2 out
of 4 in the Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium Co-Crystallized and Soaked with Amp.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium Co-Crystallized and Soaked with Amp. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg301
b:32.3
occ:1.00
|
OD1
|
B:ASP8
|
2.2
|
31.4
|
1.0
|
OD1
|
B:ASP9
|
2.4
|
33.3
|
1.0
|
O
|
B:HOH624
|
2.4
|
43.3
|
1.0
|
OD1
|
B:ASN92
|
2.5
|
31.2
|
1.0
|
O
|
B:HOH619
|
2.6
|
41.8
|
1.0
|
O
|
B:HOH623
|
2.6
|
28.6
|
1.0
|
CG
|
B:ASP8
|
3.1
|
32.2
|
1.0
|
O
|
B:HOH622
|
3.2
|
29.6
|
1.0
|
CG
|
B:ASP9
|
3.4
|
36.1
|
1.0
|
CB
|
B:ASP8
|
3.4
|
29.5
|
1.0
|
CG
|
B:ASN92
|
3.5
|
34.1
|
1.0
|
OD2
|
B:ASP9
|
3.6
|
40.6
|
1.0
|
ND2
|
B:ASN92
|
3.7
|
34.2
|
1.0
|
O
|
B:HOH672
|
3.8
|
22.5
|
1.0
|
O
|
B:HOH620
|
3.9
|
59.0
|
1.0
|
O
|
B:HOH632
|
4.0
|
46.7
|
1.0
|
O
|
B:HOH618
|
4.2
|
49.8
|
1.0
|
OD2
|
B:ASP8
|
4.2
|
34.9
|
1.0
|
C
|
B:ASP8
|
4.4
|
29.1
|
1.0
|
N
|
B:ASP9
|
4.4
|
28.8
|
1.0
|
O
|
B:HOH669
|
4.5
|
43.4
|
1.0
|
OG1
|
B:THR106
|
4.5
|
24.6
|
1.0
|
CA
|
B:ASP8
|
4.6
|
30.0
|
1.0
|
O
|
B:HOH663
|
4.7
|
43.7
|
1.0
|
CB
|
B:ASP9
|
4.7
|
32.5
|
1.0
|
O
|
B:ALA93
|
4.7
|
35.5
|
1.0
|
O
|
B:ASP8
|
4.8
|
28.5
|
1.0
|
CB
|
B:ASN92
|
4.8
|
32.4
|
1.0
|
CA
|
B:ASP9
|
4.8
|
33.0
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 4xgp
Go back to
Magnesium Binding Sites List in 4xgp
Magnesium binding site 3 out
of 4 in the Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium Co-Crystallized and Soaked with Amp.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium Co-Crystallized and Soaked with Amp. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg301
b:40.8
occ:1.00
|
O
|
C:HOH568
|
2.4
|
46.5
|
1.0
|
OD1
|
C:ASP9
|
2.4
|
32.0
|
1.0
|
OD1
|
C:ASP8
|
2.5
|
33.2
|
1.0
|
OD1
|
C:ASN92
|
2.5
|
32.3
|
1.0
|
O
|
C:HOH567
|
2.6
|
38.6
|
1.0
|
O
|
C:HOH563
|
2.8
|
35.9
|
1.0
|
O
|
C:HOH585
|
3.3
|
25.8
|
1.0
|
O
|
C:HOH562
|
3.3
|
28.8
|
1.0
|
CG
|
C:ASP9
|
3.3
|
34.7
|
1.0
|
CG
|
C:ASP8
|
3.4
|
31.6
|
1.0
|
CG
|
C:ASN92
|
3.5
|
30.3
|
1.0
|
OD2
|
C:ASP9
|
3.5
|
32.8
|
1.0
|
CB
|
C:ASP8
|
3.6
|
29.5
|
1.0
|
ND2
|
C:ASN92
|
3.7
|
29.1
|
1.0
|
O
|
C:HOH574
|
3.8
|
33.5
|
1.0
|
O
|
C:HOH564
|
4.1
|
54.8
|
1.0
|
O
|
C:HOH573
|
4.3
|
26.9
|
1.0
|
O
|
C:HOH570
|
4.4
|
39.4
|
1.0
|
C
|
C:ASP8
|
4.5
|
40.1
|
1.0
|
OD2
|
C:ASP8
|
4.6
|
32.9
|
1.0
|
OG1
|
C:THR106
|
4.6
|
32.3
|
1.0
|
CA
|
C:ASP8
|
4.7
|
35.4
|
1.0
|
O
|
C:ASP8
|
4.7
|
35.1
|
1.0
|
CB
|
C:ASP9
|
4.7
|
34.7
|
1.0
|
N
|
C:ASP9
|
4.8
|
34.4
|
1.0
|
O
|
C:ALA93
|
4.8
|
40.1
|
1.0
|
CB
|
C:ASN92
|
4.9
|
28.9
|
1.0
|
OD1
|
C:ASN37
|
4.9
|
41.6
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 4xgp
Go back to
Magnesium Binding Sites List in 4xgp
Magnesium binding site 4 out
of 4 in the Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium Co-Crystallized and Soaked with Amp.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium Co-Crystallized and Soaked with Amp. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg301
b:43.8
occ:1.00
|
OD1
|
D:ASP8
|
2.2
|
42.5
|
1.0
|
O
|
D:HOH576
|
2.2
|
52.4
|
1.0
|
OD1
|
D:ASN92
|
2.4
|
43.6
|
1.0
|
OD1
|
D:ASP9
|
2.5
|
46.9
|
1.0
|
O
|
D:HOH525
|
2.6
|
42.9
|
1.0
|
O
|
D:HOH527
|
2.6
|
48.5
|
1.0
|
O
|
D:HOH585
|
3.0
|
38.1
|
1.0
|
CG
|
D:ASP8
|
3.2
|
42.9
|
1.0
|
O
|
D:HOH526
|
3.4
|
34.4
|
1.0
|
CB
|
D:ASP8
|
3.4
|
42.7
|
1.0
|
CG
|
D:ASP9
|
3.4
|
48.6
|
1.0
|
CG
|
D:ASN92
|
3.5
|
42.7
|
1.0
|
OD2
|
D:ASP9
|
3.6
|
48.1
|
1.0
|
O
|
D:HOH583
|
3.7
|
27.2
|
1.0
|
O
|
D:HOH539
|
3.8
|
55.0
|
1.0
|
ND2
|
D:ASN92
|
3.9
|
38.5
|
1.0
|
O
|
D:HOH528
|
4.3
|
59.6
|
1.0
|
C
|
D:ASP8
|
4.3
|
39.6
|
1.0
|
OD2
|
D:ASP8
|
4.3
|
42.0
|
1.0
|
CA
|
D:ASP8
|
4.4
|
39.9
|
1.0
|
O
|
D:ASP8
|
4.5
|
39.2
|
1.0
|
N
|
D:ASP9
|
4.5
|
45.1
|
1.0
|
O
|
D:HOH540
|
4.5
|
53.5
|
1.0
|
OG1
|
D:THR106
|
4.6
|
36.0
|
1.0
|
O
|
D:HOH581
|
4.6
|
53.9
|
1.0
|
CB
|
D:ASP9
|
4.8
|
46.1
|
1.0
|
CB
|
D:ASN92
|
4.8
|
43.8
|
1.0
|
O
|
D:ALA93
|
5.0
|
59.5
|
1.0
|
|
Reference:
Y.K.Mathiharan,
H.S.Savithri,
M.R.N.Murthy.
Insights Into Stabilizing Interactions in the Distorted Domain-Swapped Dimer of Salmonella Typhimurium Survival Protein Acta Crystallogr.,Sect.D V. 71 1812 2015.
ISSN: ESSN 1399-0047
DOI: 10.1107/S1399004715011992
Page generated: Tue Aug 20 15:30:03 2024
|