Magnesium in PDB 8vrx: Bile Salt Hydrolase From Arthrobacter Citreus
Protein crystallography data
The structure of Bile Salt Hydrolase From Arthrobacter Citreus, PDB code: 8vrx
was solved by
A.Ruzzini,
P.Dhindwal,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
40.40 /
2.04
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
167.787,
44.071,
86.592,
90,
111.07,
90
|
R / Rfree (%)
|
13.3 /
17.2
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Bile Salt Hydrolase From Arthrobacter Citreus
(pdb code 8vrx). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Bile Salt Hydrolase From Arthrobacter Citreus, PDB code: 8vrx:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 8vrx
Go back to
Magnesium Binding Sites List in 8vrx
Magnesium binding site 1 out
of 4 in the Bile Salt Hydrolase From Arthrobacter Citreus
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Bile Salt Hydrolase From Arthrobacter Citreus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg401
b:43.8
occ:1.00
|
O
|
A:HOH748
|
1.9
|
36.4
|
1.0
|
O
|
A:HOH622
|
2.1
|
39.6
|
1.0
|
O
|
A:HOH648
|
2.2
|
25.3
|
1.0
|
O
|
A:HOH501
|
2.3
|
29.6
|
1.0
|
OE2
|
A:GLU28
|
3.1
|
24.5
|
1.0
|
OD1
|
A:ASP25
|
3.3
|
41.2
|
1.0
|
CD
|
A:GLU28
|
3.9
|
31.5
|
1.0
|
OE1
|
A:GLU28
|
4.0
|
22.7
|
1.0
|
CG
|
A:ASP25
|
4.0
|
49.7
|
1.0
|
CG2
|
A:THR275
|
4.1
|
15.9
|
0.3
|
OG1
|
A:THR275
|
4.2
|
20.9
|
0.7
|
O
|
A:HOH560
|
4.2
|
28.5
|
1.0
|
OE1
|
A:GLU293
|
4.3
|
18.6
|
1.0
|
O
|
A:HOH752
|
4.4
|
31.5
|
1.0
|
OD2
|
A:ASP25
|
4.4
|
48.3
|
1.0
|
O
|
A:THR275
|
4.5
|
9.6
|
0.7
|
CG2
|
A:THR291
|
4.7
|
12.5
|
1.0
|
O
|
A:HOH805
|
4.8
|
38.9
|
1.0
|
O
|
A:THR275
|
4.8
|
10.0
|
0.3
|
CB
|
A:THR291
|
5.0
|
8.7
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 8vrx
Go back to
Magnesium Binding Sites List in 8vrx
Magnesium binding site 2 out
of 4 in the Bile Salt Hydrolase From Arthrobacter Citreus
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Bile Salt Hydrolase From Arthrobacter Citreus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg403
b:47.6
occ:1.00
|
OD2
|
A:ASP124
|
2.7
|
23.1
|
0.4
|
O
|
A:GLY95
|
3.1
|
19.4
|
1.0
|
OG1
|
A:THR97
|
3.3
|
16.6
|
1.0
|
CG
|
A:ASP124
|
3.7
|
20.1
|
0.4
|
C
|
A:ALA96
|
3.9
|
18.7
|
1.0
|
N
|
A:THR97
|
3.9
|
14.8
|
1.0
|
O
|
A:ALA96
|
4.1
|
13.3
|
1.0
|
C
|
A:GLY95
|
4.1
|
18.8
|
1.0
|
OD1
|
A:ASP124
|
4.3
|
20.9
|
0.4
|
CA
|
A:THR97
|
4.4
|
16.6
|
1.0
|
CA
|
A:ALA96
|
4.4
|
15.3
|
1.0
|
CB
|
A:THR97
|
4.4
|
19.4
|
1.0
|
CB
|
A:ASP124
|
4.4
|
19.6
|
0.6
|
CB
|
A:ASP124
|
4.6
|
19.9
|
0.4
|
N
|
A:ALA96
|
4.7
|
14.2
|
1.0
|
O
|
A:HOH506
|
4.8
|
17.5
|
1.0
|
OD2
|
A:ASP124
|
4.8
|
27.4
|
0.6
|
CG
|
A:ASP124
|
4.8
|
20.9
|
0.6
|
|
Magnesium binding site 3 out
of 4 in 8vrx
Go back to
Magnesium Binding Sites List in 8vrx
Magnesium binding site 3 out
of 4 in the Bile Salt Hydrolase From Arthrobacter Citreus
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Bile Salt Hydrolase From Arthrobacter Citreus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg411
b:24.8
occ:1.00
|
C2
|
A:EDO406
|
2.3
|
25.2
|
1.0
|
OE1
|
A:GLU272
|
2.8
|
16.8
|
1.0
|
C1
|
A:EDO406
|
3.0
|
19.7
|
1.0
|
N
|
B:SER210
|
3.0
|
7.8
|
1.0
|
O1
|
A:EDO406
|
3.1
|
36.3
|
1.0
|
O
|
A:HOH682
|
3.2
|
10.5
|
1.0
|
O2
|
A:EDO406
|
3.2
|
17.2
|
1.0
|
OE2
|
A:GLU272
|
3.5
|
22.5
|
1.0
|
CD
|
A:GLU272
|
3.5
|
19.7
|
1.0
|
OG
|
B:SER210
|
3.5
|
13.2
|
1.0
|
CA
|
B:GLY209
|
3.6
|
14.8
|
1.0
|
C
|
B:GLY209
|
3.8
|
11.1
|
1.0
|
SD
|
A:MET266
|
3.8
|
38.4
|
1.0
|
CB
|
B:SER210
|
3.9
|
11.5
|
1.0
|
CE
|
A:MET266
|
4.0
|
41.9
|
1.0
|
CA
|
B:SER210
|
4.0
|
9.6
|
1.0
|
O
|
A:HOH671
|
4.2
|
10.0
|
1.0
|
O
|
A:HOH602
|
4.3
|
27.1
|
1.0
|
O
|
B:HOH683
|
4.6
|
31.4
|
1.0
|
O
|
B:SER210
|
4.8
|
8.6
|
1.0
|
N
|
B:GLY209
|
4.9
|
10.6
|
1.0
|
NH2
|
A:ARG226
|
4.9
|
8.8
|
1.0
|
C
|
B:SER210
|
4.9
|
7.4
|
1.0
|
O
|
A:HOH520
|
4.9
|
37.5
|
1.0
|
CG
|
A:GLU272
|
4.9
|
13.9
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 8vrx
Go back to
Magnesium Binding Sites List in 8vrx
Magnesium binding site 4 out
of 4 in the Bile Salt Hydrolase From Arthrobacter Citreus
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Bile Salt Hydrolase From Arthrobacter Citreus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg401
b:39.0
occ:1.00
|
O
|
B:HOH716
|
1.9
|
42.7
|
1.0
|
O
|
B:HOH508
|
2.1
|
39.3
|
1.0
|
O
|
B:HOH574
|
2.1
|
28.8
|
1.0
|
O
|
B:HOH740
|
2.3
|
42.2
|
1.0
|
O
|
B:HOH501
|
2.8
|
36.5
|
1.0
|
OE1
|
B:GLU28
|
3.1
|
35.1
|
1.0
|
OG1
|
B:THR275
|
3.5
|
34.6
|
1.0
|
OD1
|
B:ASP25
|
3.6
|
40.6
|
1.0
|
OE1
|
B:GLU293
|
3.9
|
19.9
|
1.0
|
CD
|
B:GLU28
|
4.0
|
39.0
|
1.0
|
O
|
B:THR275
|
4.1
|
9.1
|
1.0
|
OE2
|
B:GLU28
|
4.2
|
32.7
|
1.0
|
O
|
B:HOH707
|
4.3
|
34.2
|
1.0
|
OE2
|
B:GLU293
|
4.3
|
47.7
|
1.0
|
CG
|
B:ASP25
|
4.5
|
55.0
|
1.0
|
CD
|
B:GLU293
|
4.6
|
38.8
|
1.0
|
CG2
|
B:THR291
|
4.6
|
10.3
|
1.0
|
O
|
B:HOH753
|
4.7
|
40.1
|
1.0
|
CB
|
B:THR275
|
4.8
|
15.0
|
1.0
|
CB
|
B:THR291
|
4.8
|
10.8
|
1.0
|
C
|
B:THR275
|
4.8
|
8.6
|
1.0
|
O
|
B:HOH542
|
4.8
|
26.8
|
1.0
|
CB
|
B:ASP25
|
4.9
|
45.3
|
1.0
|
CA
|
B:ASP25
|
4.9
|
43.4
|
1.0
|
N
|
B:PHE26
|
5.0
|
40.0
|
1.0
|
|
Reference:
A.Ruzzini,
P.Dhindwal.
Bile Salt Hydrolase From Arthrobacter Citreus To Be Published.
Page generated: Fri Oct 4 22:13:51 2024
|