Magnesium in PDB 1eo3: Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High Resolution X-Ray Crystallographic Study
Enzymatic activity of Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High Resolution X-Ray Crystallographic Study
All present enzymatic activity of Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High Resolution X-Ray Crystallographic Study:
3.1.21.4;
Protein crystallography data
The structure of Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High Resolution X-Ray Crystallographic Study, PDB code: 1eo3
was solved by
N.C.Horton,
B.A.Connolly,
J.J.Perona,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
4.90 /
2.00
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
48.000,
48.500,
63.800,
97.00,
108.90,
106.30
|
R / Rfree (%)
|
19.6 /
29
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High Resolution X-Ray Crystallographic Study
(pdb code 1eo3). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High Resolution X-Ray Crystallographic Study, PDB code: 1eo3:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 1eo3
Go back to
Magnesium Binding Sites List in 1eo3
Magnesium binding site 1 out
of 4 in the Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High Resolution X-Ray Crystallographic Study
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High Resolution X-Ray Crystallographic Study within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg501
b:33.0
occ:1.00
|
OE2
|
A:GLU45
|
2.0
|
29.9
|
1.0
|
O
|
A:HOH708
|
2.0
|
31.3
|
1.0
|
O
|
A:HOH610
|
2.1
|
23.3
|
1.0
|
O
|
A:HOH666
|
2.2
|
30.4
|
1.0
|
OD1
|
A:ASP74
|
2.4
|
27.4
|
1.0
|
CD
|
A:GLU45
|
2.9
|
33.4
|
1.0
|
OE1
|
A:GLU45
|
3.1
|
36.1
|
1.0
|
CG
|
A:ASP74
|
3.3
|
24.5
|
1.0
|
CB
|
A:ASP74
|
3.6
|
23.9
|
1.0
|
CA
|
A:ASP74
|
3.8
|
23.9
|
1.0
|
O
|
A:HOH609
|
4.2
|
61.6
|
1.0
|
O
|
A:HOH665
|
4.2
|
43.2
|
1.0
|
OE2
|
A:GLU65
|
4.2
|
29.5
|
1.0
|
CG
|
A:GLU45
|
4.3
|
30.8
|
1.0
|
OD2
|
A:ASP74
|
4.3
|
23.4
|
1.0
|
O
|
A:ASP74
|
4.4
|
22.1
|
1.0
|
O
|
A:HOH611
|
4.5
|
44.4
|
1.0
|
C
|
A:ASP74
|
4.6
|
23.7
|
1.0
|
CD
|
A:PRO66
|
4.7
|
29.0
|
1.0
|
N
|
A:ASP74
|
4.9
|
22.9
|
1.0
|
O
|
A:HOH714
|
5.0
|
38.8
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 1eo3
Go back to
Magnesium Binding Sites List in 1eo3
Magnesium binding site 2 out
of 4 in the Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High Resolution X-Ray Crystallographic Study
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High Resolution X-Ray Crystallographic Study within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg502
b:71.2
occ:1.00
|
O
|
A:HOH611
|
2.2
|
44.4
|
1.0
|
OD2
|
A:ASP74
|
2.2
|
23.4
|
1.0
|
O
|
C:HOH27
|
2.3
|
27.8
|
1.0
|
O
|
A:ILE91
|
2.6
|
22.1
|
1.0
|
CG
|
A:ASP74
|
3.0
|
24.5
|
1.0
|
OD1
|
A:ASP74
|
3.2
|
27.4
|
1.0
|
C
|
A:ILE91
|
3.7
|
22.7
|
1.0
|
OD1
|
A:ASP90
|
3.8
|
35.8
|
1.0
|
O
|
C:HOH28
|
3.9
|
22.1
|
1.0
|
N
|
A:ILE91
|
3.9
|
28.3
|
1.0
|
OD2
|
A:ASP90
|
3.9
|
30.4
|
1.0
|
CG
|
A:ASP90
|
4.0
|
30.2
|
1.0
|
CA
|
A:ILE91
|
4.2
|
25.7
|
1.0
|
O
|
A:HOH727
|
4.2
|
50.2
|
1.0
|
OP2
|
C:DA7
|
4.2
|
33.8
|
1.0
|
O
|
C:HOH33
|
4.2
|
28.1
|
1.0
|
C5'
|
C:DA7
|
4.3
|
27.4
|
1.0
|
CB
|
A:ILE91
|
4.4
|
28.4
|
1.0
|
CB
|
A:ASP74
|
4.5
|
23.9
|
1.0
|
C4'
|
C:DA7
|
4.5
|
27.7
|
1.0
|
O
|
A:HOH666
|
4.5
|
30.4
|
1.0
|
C3'
|
C:DA7
|
4.6
|
28.0
|
1.0
|
O3'
|
C:DA7
|
4.6
|
29.5
|
1.0
|
OE1
|
A:GLU45
|
4.6
|
36.1
|
1.0
|
C
|
A:ASP90
|
4.9
|
29.3
|
1.0
|
N
|
A:LYS92
|
4.9
|
22.6
|
1.0
|
O
|
A:HOH665
|
4.9
|
43.2
|
1.0
|
CD
|
A:LYS92
|
5.0
|
33.5
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 1eo3
Go back to
Magnesium Binding Sites List in 1eo3
Magnesium binding site 3 out
of 4 in the Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High Resolution X-Ray Crystallographic Study
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High Resolution X-Ray Crystallographic Study within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg503
b:29.3
occ:1.00
|
O
|
B:HOH619
|
1.9
|
27.9
|
1.0
|
OE1
|
B:GLU45
|
2.0
|
36.5
|
1.0
|
O
|
B:HOH622
|
2.0
|
38.8
|
1.0
|
OD1
|
B:ASP74
|
2.1
|
26.6
|
1.0
|
O
|
B:HOH668
|
2.1
|
23.9
|
1.0
|
O
|
B:HOH618
|
2.2
|
18.9
|
1.0
|
CD
|
B:GLU45
|
3.0
|
38.0
|
1.0
|
CG
|
B:ASP74
|
3.1
|
27.1
|
1.0
|
OE2
|
B:GLU45
|
3.3
|
39.9
|
1.0
|
CB
|
B:ASP74
|
3.6
|
22.2
|
1.0
|
CA
|
B:ASP74
|
3.8
|
23.9
|
1.0
|
O
|
B:HOH686
|
4.0
|
49.4
|
1.0
|
OD2
|
B:ASP74
|
4.1
|
26.3
|
1.0
|
O
|
B:HOH623
|
4.1
|
28.9
|
1.0
|
O
|
B:HOH621
|
4.2
|
28.3
|
1.0
|
O
|
B:HOH697
|
4.3
|
62.1
|
1.0
|
CG
|
B:GLU45
|
4.3
|
33.0
|
1.0
|
O
|
B:HOH669
|
4.4
|
42.9
|
1.0
|
OE2
|
B:GLU65
|
4.4
|
37.4
|
1.0
|
O
|
B:ASP74
|
4.5
|
24.0
|
1.0
|
O
|
B:HOH620
|
4.5
|
60.6
|
1.0
|
C
|
B:ASP74
|
4.6
|
22.9
|
1.0
|
CD
|
B:PRO66
|
4.8
|
29.2
|
1.0
|
N
|
B:ASP74
|
4.9
|
21.8
|
1.0
|
O
|
B:HOH705
|
5.0
|
34.6
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 1eo3
Go back to
Magnesium Binding Sites List in 1eo3
Magnesium binding site 4 out
of 4 in the Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High Resolution X-Ray Crystallographic Study
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High Resolution X-Ray Crystallographic Study within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg504
b:44.9
occ:1.00
|
O
|
B:HOH699
|
2.1
|
59.5
|
1.0
|
O
|
B:HOH623
|
2.1
|
28.9
|
1.0
|
O
|
B:HOH625
|
2.1
|
33.0
|
1.0
|
OD2
|
B:ASP74
|
2.2
|
26.3
|
1.0
|
O
|
B:ILE91
|
2.2
|
18.6
|
1.0
|
CG
|
B:ASP74
|
3.2
|
27.1
|
1.0
|
C
|
B:ILE91
|
3.3
|
18.1
|
1.0
|
OD1
|
B:ASP74
|
3.5
|
26.6
|
1.0
|
N
|
B:ILE91
|
3.5
|
20.1
|
1.0
|
CA
|
B:ILE91
|
3.7
|
19.8
|
1.0
|
O
|
D:HOH89
|
3.8
|
32.4
|
1.0
|
OD1
|
B:ASP90
|
3.9
|
25.5
|
1.0
|
CB
|
B:ILE91
|
4.0
|
17.6
|
1.0
|
OE2
|
B:GLU45
|
4.0
|
39.9
|
1.0
|
O
|
B:HOH697
|
4.1
|
62.1
|
1.0
|
CG
|
B:ASP90
|
4.2
|
27.5
|
1.0
|
OD2
|
B:ASP90
|
4.3
|
31.1
|
1.0
|
O3'
|
D:DA7
|
4.3
|
36.7
|
1.0
|
C5'
|
D:DA7
|
4.4
|
28.3
|
1.0
|
OP2
|
D:DA7
|
4.4
|
31.5
|
1.0
|
N
|
B:LYS92
|
4.4
|
20.7
|
1.0
|
C
|
B:ASP90
|
4.5
|
19.9
|
1.0
|
CB
|
B:ASP74
|
4.5
|
22.2
|
1.0
|
O
|
B:HOH622
|
4.6
|
38.8
|
1.0
|
CD
|
B:LYS92
|
4.6
|
25.9
|
1.0
|
C4'
|
D:DA7
|
4.8
|
29.4
|
1.0
|
CD
|
B:GLU45
|
4.9
|
38.0
|
1.0
|
CG1
|
B:ILE91
|
4.9
|
16.8
|
1.0
|
CA
|
B:LYS92
|
4.9
|
22.4
|
1.0
|
CA
|
B:ASP90
|
5.0
|
23.2
|
1.0
|
|
Reference:
N.C.Horton,
B.A.Connolly,
J.J.Perona.
Inhibition of Ecorv Endonuclease By Deoxyribo-3'-S-Phosphorothiolates: A High-Resolution X-Ray Crystallographic Study J.Am.Chem.Soc. V. 122 3314 2000.
ISSN: ISSN 0002-7863
DOI: 10.1021/JA993719J
Page generated: Tue Aug 13 03:01:49 2024
|