Magnesium in PDB 1rvc: MG2+ Binding to the Active Site of Eco Rv Endonuclease: A Crystallographic Study of Complexes with Substrate and Product Dna at 2 Angstroms Resolution
Protein crystallography data
The structure of MG2+ Binding to the Active Site of Eco Rv Endonuclease: A Crystallographic Study of Complexes with Substrate and Product Dna at 2 Angstroms Resolution, PDB code: 1rvc
was solved by
D.Kostrewa,
F.K.Winkler,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
2.10
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
49.290,
50.340,
63.880,
96.66,
108.76,
108.41
|
R / Rfree (%)
|
15.6 /
n/a
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the MG2+ Binding to the Active Site of Eco Rv Endonuclease: A Crystallographic Study of Complexes with Substrate and Product Dna at 2 Angstroms Resolution
(pdb code 1rvc). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
MG2+ Binding to the Active Site of Eco Rv Endonuclease: A Crystallographic Study of Complexes with Substrate and Product Dna at 2 Angstroms Resolution, PDB code: 1rvc:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 1rvc
Go back to
Magnesium Binding Sites List in 1rvc
Magnesium binding site 1 out
of 4 in the MG2+ Binding to the Active Site of Eco Rv Endonuclease: A Crystallographic Study of Complexes with Substrate and Product Dna at 2 Angstroms Resolution
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of MG2+ Binding to the Active Site of Eco Rv Endonuclease: A Crystallographic Study of Complexes with Substrate and Product Dna at 2 Angstroms Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg402
b:47.1
occ:1.00
|
OP1
|
D:DA7
|
1.8
|
36.4
|
1.0
|
O
|
D:HOH184
|
2.1
|
31.3
|
1.0
|
O
|
D:HOH299
|
2.1
|
45.5
|
1.0
|
O
|
D:HOH240
|
2.2
|
28.3
|
1.0
|
O
|
A:GLN69
|
2.4
|
33.4
|
1.0
|
O
|
A:HOH486
|
2.4
|
21.5
|
1.0
|
P
|
D:DA7
|
3.3
|
29.1
|
1.0
|
C
|
A:GLN69
|
3.5
|
31.5
|
1.0
|
O
|
A:HOH478
|
3.8
|
27.4
|
1.0
|
O
|
B:HOH488
|
3.9
|
39.9
|
1.0
|
NZ
|
B:LYS38
|
4.0
|
31.5
|
1.0
|
OP3
|
D:DA7
|
4.0
|
18.9
|
1.0
|
CA
|
A:GLN69
|
4.0
|
31.6
|
1.0
|
O
|
B:HOH482
|
4.0
|
63.9
|
1.0
|
OP2
|
D:DA7
|
4.2
|
40.7
|
1.0
|
O5'
|
D:DA7
|
4.2
|
35.4
|
1.0
|
CE
|
B:LYS38
|
4.5
|
29.3
|
1.0
|
O
|
A:HIS71
|
4.5
|
25.4
|
1.0
|
CB
|
A:GLN69
|
4.5
|
30.0
|
1.0
|
N
|
A:ASN70
|
4.6
|
29.9
|
1.0
|
O
|
D:HOH212
|
4.6
|
22.0
|
1.0
|
CD
|
B:LYS38
|
4.6
|
32.5
|
1.0
|
C2'
|
C:DT6
|
4.8
|
35.5
|
1.0
|
CA
|
A:ASN70
|
4.9
|
34.1
|
1.0
|
N
|
A:HIS71
|
4.9
|
27.1
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 1rvc
Go back to
Magnesium Binding Sites List in 1rvc
Magnesium binding site 2 out
of 4 in the MG2+ Binding to the Active Site of Eco Rv Endonuclease: A Crystallographic Study of Complexes with Substrate and Product Dna at 2 Angstroms Resolution
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of MG2+ Binding to the Active Site of Eco Rv Endonuclease: A Crystallographic Study of Complexes with Substrate and Product Dna at 2 Angstroms Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg404
b:21.3
occ:1.00
|
OP1
|
F:DA7
|
1.9
|
19.5
|
1.0
|
O
|
B:HOH476
|
1.9
|
19.0
|
1.0
|
O
|
B:GLN69
|
2.1
|
23.9
|
1.0
|
O
|
A:HOH483
|
2.2
|
18.7
|
1.0
|
O
|
F:HOH126
|
2.3
|
22.2
|
1.0
|
O
|
B:HOH460
|
2.3
|
19.8
|
1.0
|
P
|
F:DA7
|
3.2
|
19.9
|
1.0
|
C
|
B:GLN69
|
3.3
|
20.0
|
1.0
|
OP3
|
F:DA7
|
3.7
|
18.3
|
1.0
|
O5'
|
F:DA7
|
3.9
|
17.6
|
1.0
|
O
|
F:HOH275
|
4.0
|
21.0
|
1.0
|
CA
|
B:ASN70
|
4.1
|
18.5
|
1.0
|
O
|
B:HOH480
|
4.2
|
21.5
|
1.0
|
NZ
|
A:LYS38
|
4.2
|
31.6
|
1.0
|
N
|
B:ASN70
|
4.2
|
18.2
|
1.0
|
CA
|
B:GLN69
|
4.2
|
20.1
|
1.0
|
OP2
|
F:DA7
|
4.4
|
13.6
|
1.0
|
C2'
|
E:DT6
|
4.4
|
16.3
|
1.0
|
O
|
A:HOH454
|
4.4
|
14.2
|
1.0
|
CE
|
A:LYS38
|
4.6
|
25.2
|
1.0
|
CB
|
B:GLN69
|
4.6
|
22.3
|
1.0
|
O
|
B:HIS71
|
4.7
|
14.8
|
1.0
|
CD
|
A:LYS38
|
4.7
|
33.4
|
1.0
|
N
|
B:HIS71
|
4.7
|
19.8
|
1.0
|
OD2
|
A:ASP36
|
4.8
|
45.8
|
1.0
|
C1'
|
E:DT6
|
4.8
|
15.5
|
1.0
|
C
|
B:ASN70
|
4.9
|
19.3
|
1.0
|
O
|
D:HOH82
|
5.0
|
25.2
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 1rvc
Go back to
Magnesium Binding Sites List in 1rvc
Magnesium binding site 3 out
of 4 in the MG2+ Binding to the Active Site of Eco Rv Endonuclease: A Crystallographic Study of Complexes with Substrate and Product Dna at 2 Angstroms Resolution
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of MG2+ Binding to the Active Site of Eco Rv Endonuclease: A Crystallographic Study of Complexes with Substrate and Product Dna at 2 Angstroms Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg401
b:24.1
occ:1.00
|
OP2
|
D:DA7
|
1.9
|
40.7
|
1.0
|
O
|
A:HOH487
|
2.0
|
23.9
|
1.0
|
O
|
D:HOH153
|
2.1
|
23.9
|
1.0
|
OD1
|
A:ASP74
|
2.2
|
12.5
|
1.0
|
OE2
|
A:GLU45
|
2.3
|
33.5
|
1.0
|
OD2
|
A:ASP74
|
2.3
|
13.8
|
1.0
|
CG
|
A:ASP74
|
2.6
|
13.5
|
1.0
|
CD
|
A:GLU45
|
3.2
|
39.2
|
1.0
|
P
|
D:DA7
|
3.2
|
29.1
|
1.0
|
OP3
|
D:DA7
|
3.5
|
18.9
|
1.0
|
OE1
|
A:GLU45
|
3.9
|
43.3
|
1.0
|
O
|
A:ILE91
|
3.9
|
18.5
|
1.0
|
NZ
|
B:LYS38
|
4.0
|
31.5
|
1.0
|
CG
|
A:GLU45
|
4.0
|
35.8
|
1.0
|
O5'
|
D:DA7
|
4.1
|
35.4
|
1.0
|
CB
|
A:ASP74
|
4.1
|
11.8
|
1.0
|
O
|
A:HOH484
|
4.1
|
37.3
|
1.0
|
C5'
|
D:DA7
|
4.2
|
29.4
|
1.0
|
O
|
B:HOH482
|
4.3
|
63.9
|
1.0
|
OP1
|
D:DA7
|
4.3
|
36.4
|
1.0
|
OD1
|
A:ASP90
|
4.3
|
18.5
|
1.0
|
O
|
A:HOH478
|
4.5
|
27.4
|
1.0
|
O
|
A:HOH443
|
4.6
|
19.6
|
1.0
|
N
|
A:ILE91
|
4.6
|
15.4
|
1.0
|
C4'
|
D:DA7
|
4.8
|
30.8
|
1.0
|
CB
|
A:ILE91
|
4.8
|
19.8
|
1.0
|
C
|
A:ILE91
|
4.9
|
17.1
|
1.0
|
NZ
|
A:LYS92
|
4.9
|
38.4
|
1.0
|
CG
|
A:ASP90
|
4.9
|
18.9
|
1.0
|
CA
|
A:ASP74
|
4.9
|
15.0
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 1rvc
Go back to
Magnesium Binding Sites List in 1rvc
Magnesium binding site 4 out
of 4 in the MG2+ Binding to the Active Site of Eco Rv Endonuclease: A Crystallographic Study of Complexes with Substrate and Product Dna at 2 Angstroms Resolution
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of MG2+ Binding to the Active Site of Eco Rv Endonuclease: A Crystallographic Study of Complexes with Substrate and Product Dna at 2 Angstroms Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg403
b:14.8
occ:1.00
|
OE2
|
B:GLU45
|
2.0
|
26.3
|
1.0
|
O
|
B:HOH481
|
2.0
|
15.2
|
1.0
|
OP2
|
F:DA7
|
2.0
|
13.6
|
1.0
|
O
|
F:HOH291
|
2.1
|
12.2
|
1.0
|
OD1
|
B:ASP74
|
2.2
|
11.8
|
1.0
|
OD2
|
B:ASP74
|
2.2
|
11.5
|
1.0
|
CG
|
B:ASP74
|
2.5
|
12.0
|
1.0
|
CD
|
B:GLU45
|
3.2
|
33.8
|
1.0
|
P
|
F:DA7
|
3.3
|
19.9
|
1.0
|
OP3
|
F:DA7
|
3.6
|
18.3
|
1.0
|
OE1
|
B:GLU45
|
3.9
|
41.6
|
1.0
|
O
|
B:ILE91
|
4.0
|
15.5
|
1.0
|
O
|
B:HOH442
|
4.0
|
33.0
|
1.0
|
CB
|
B:ASP74
|
4.0
|
7.6
|
1.0
|
CG
|
B:GLU45
|
4.2
|
29.6
|
1.0
|
O
|
B:HOH484
|
4.2
|
35.3
|
1.0
|
NZ
|
A:LYS38
|
4.2
|
31.6
|
1.0
|
OD1
|
B:ASP90
|
4.2
|
18.9
|
1.0
|
OP1
|
F:DA7
|
4.3
|
19.5
|
1.0
|
O
|
B:HOH480
|
4.4
|
21.5
|
1.0
|
O5'
|
F:DA7
|
4.4
|
17.6
|
1.0
|
C5'
|
F:DA7
|
4.4
|
17.9
|
1.0
|
N
|
B:ILE91
|
4.5
|
14.1
|
1.0
|
O
|
B:HOH429
|
4.6
|
24.8
|
1.0
|
CB
|
B:ILE91
|
4.8
|
19.7
|
1.0
|
CA
|
B:ASP74
|
4.8
|
14.2
|
1.0
|
C
|
B:ILE91
|
4.8
|
13.5
|
1.0
|
CG
|
B:ASP90
|
4.9
|
20.1
|
1.0
|
CA
|
B:ILE91
|
4.9
|
13.4
|
1.0
|
|
Reference:
D.Kostrewa,
F.K.Winkler.
MG2+ Binding to the Active Site of Ecorv Endonuclease: A Crystallographic Study of Complexes with Substrate and Product Dna at 2 A Resolution. Biochemistry V. 34 683 1995.
ISSN: ISSN 0006-2960
PubMed: 7819264
DOI: 10.1021/BI00002A036
Page generated: Tue Aug 13 13:08:02 2024
|