Magnesium in PDB 3v9w: Crystal Structure of Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site
Protein crystallography data
The structure of Crystal Structure of Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site, PDB code: 3v9w
was solved by
Y.-Y.Hsiao,
H.S.Yuan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
26.39 /
1.70
|
Space group
|
P 32
|
Cell size a, b, c (Å), α, β, γ (°)
|
46.340,
46.340,
315.354,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
19.2 /
22.6
|
Other elements in 3v9w:
The structure of Crystal Structure of Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site
(pdb code 3v9w). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the
Crystal Structure of Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site, PDB code: 3v9w:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
Magnesium binding site 1 out
of 6 in 3v9w
Go back to
Magnesium Binding Sites List in 3v9w
Magnesium binding site 1 out
of 6 in the Crystal Structure of Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site
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 Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg301
b:29.8
occ:1.00
|
OP1
|
E:DA7
|
2.2
|
24.2
|
1.0
|
OE1
|
A:GLU25
|
2.4
|
34.2
|
1.0
|
OD2
|
A:ASP186
|
2.4
|
29.9
|
1.0
|
CD
|
A:GLU25
|
3.1
|
28.1
|
1.0
|
O
|
A:HOH548
|
3.2
|
38.6
|
1.0
|
OE2
|
A:GLU25
|
3.2
|
22.7
|
1.0
|
OD2
|
A:ASP23
|
3.4
|
27.4
|
1.0
|
CG
|
A:ASP186
|
3.5
|
29.0
|
1.0
|
CA
|
A:HIS181
|
3.5
|
44.2
|
1.0
|
P
|
E:DA7
|
3.6
|
23.2
|
1.0
|
OD1
|
A:ASP23
|
3.6
|
22.3
|
1.0
|
C
|
A:HIS181
|
3.8
|
39.4
|
1.0
|
CG
|
A:ASP23
|
3.9
|
24.5
|
1.0
|
MG
|
E:MG101
|
3.9
|
19.8
|
1.0
|
CB
|
A:ASP186
|
4.0
|
27.5
|
1.0
|
O
|
A:HIS181
|
4.1
|
45.4
|
1.0
|
O
|
A:HOH434
|
4.1
|
27.5
|
1.0
|
N
|
A:HIS181
|
4.3
|
41.7
|
1.0
|
N
|
A:SER182
|
4.3
|
43.7
|
1.0
|
OP2
|
E:DA7
|
4.3
|
28.7
|
1.0
|
O5'
|
E:DA7
|
4.3
|
22.7
|
1.0
|
O
|
A:VAL24
|
4.5
|
20.0
|
1.0
|
CB
|
A:HIS181
|
4.6
|
42.7
|
1.0
|
OD1
|
A:ASP186
|
4.6
|
31.9
|
1.0
|
CG
|
A:GLU25
|
4.6
|
21.2
|
1.0
|
C
|
A:SER182
|
4.6
|
28.1
|
1.0
|
C5'
|
E:DA7
|
4.6
|
23.4
|
1.0
|
O3'
|
E:DT6
|
4.6
|
18.0
|
1.0
|
O
|
A:SER182
|
4.6
|
30.4
|
1.0
|
ND1
|
A:HIS181
|
4.7
|
41.2
|
1.0
|
N
|
A:ALA183
|
4.8
|
27.6
|
1.0
|
O
|
A:HOH552
|
4.8
|
24.2
|
1.0
|
O
|
A:HOH403
|
4.8
|
18.4
|
1.0
|
CA
|
A:SER182
|
5.0
|
37.5
|
1.0
|
CA
|
A:ALA183
|
5.0
|
28.0
|
1.0
|
|
Magnesium binding site 2 out
of 6 in 3v9w
Go back to
Magnesium Binding Sites List in 3v9w
Magnesium binding site 2 out
of 6 in the Crystal Structure of Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site
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 Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg301
b:27.8
occ:1.00
|
OP1
|
F:DA7
|
2.2
|
23.3
|
1.0
|
OD2
|
B:ASP186
|
2.4
|
28.3
|
1.0
|
OE1
|
B:GLU25
|
2.4
|
31.6
|
1.0
|
OE2
|
B:GLU25
|
3.1
|
24.8
|
1.0
|
CD
|
B:GLU25
|
3.1
|
28.8
|
1.0
|
CA
|
B:HIS181
|
3.5
|
41.8
|
1.0
|
CG
|
B:ASP186
|
3.5
|
30.2
|
1.0
|
OD2
|
B:ASP23
|
3.5
|
24.0
|
1.0
|
P
|
F:DA7
|
3.6
|
23.0
|
1.0
|
C
|
B:HIS181
|
3.7
|
37.4
|
1.0
|
OD1
|
B:ASP23
|
3.7
|
24.1
|
1.0
|
O
|
B:HIS181
|
3.8
|
44.0
|
1.0
|
MG
|
F:MG101
|
3.9
|
21.0
|
1.0
|
CG
|
B:ASP23
|
4.0
|
26.4
|
1.0
|
CB
|
B:ASP186
|
4.1
|
25.1
|
1.0
|
O5'
|
F:DA7
|
4.2
|
26.2
|
1.0
|
OP2
|
F:DA7
|
4.2
|
26.4
|
1.0
|
O
|
B:HOH434
|
4.3
|
25.9
|
1.0
|
N
|
B:SER182
|
4.3
|
42.8
|
1.0
|
ND1
|
B:HIS181
|
4.3
|
41.7
|
1.0
|
CB
|
B:HIS181
|
4.4
|
45.0
|
1.0
|
N
|
B:HIS181
|
4.4
|
38.0
|
1.0
|
O
|
B:VAL24
|
4.5
|
20.5
|
1.0
|
C5'
|
F:DA7
|
4.5
|
22.5
|
1.0
|
O
|
B:SER182
|
4.6
|
31.1
|
1.0
|
C
|
B:SER182
|
4.6
|
31.0
|
1.0
|
OD1
|
B:ASP186
|
4.6
|
35.3
|
1.0
|
CG
|
B:GLU25
|
4.6
|
25.7
|
1.0
|
O3'
|
F:DT6
|
4.6
|
19.0
|
1.0
|
CG
|
B:HIS181
|
4.8
|
42.0
|
1.0
|
N
|
B:ALA183
|
4.9
|
30.9
|
1.0
|
O
|
F:HOH202
|
4.9
|
22.1
|
1.0
|
CA
|
B:SER182
|
4.9
|
37.6
|
1.0
|
|
Magnesium binding site 3 out
of 6 in 3v9w
Go back to
Magnesium Binding Sites List in 3v9w
Magnesium binding site 3 out
of 6 in the Crystal Structure of Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site
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 Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg101
b:19.8
occ:1.00
|
O
|
A:HOH403
|
2.4
|
18.4
|
1.0
|
O
|
A:HOH434
|
2.4
|
27.5
|
1.0
|
OD1
|
A:ASP23
|
2.4
|
22.3
|
1.0
|
O
|
A:HOH404
|
2.4
|
17.5
|
1.0
|
O3'
|
E:DT6
|
2.5
|
18.0
|
1.0
|
OP1
|
E:DA7
|
2.7
|
24.2
|
1.0
|
P
|
E:DA7
|
3.2
|
23.2
|
1.0
|
CG
|
A:ASP23
|
3.6
|
24.5
|
1.0
|
C3'
|
E:DT6
|
3.7
|
21.3
|
1.0
|
O
|
A:HOH428
|
3.9
|
20.4
|
1.0
|
MG
|
A:MG301
|
3.9
|
29.8
|
1.0
|
O
|
A:HOH402
|
3.9
|
14.6
|
1.0
|
OD1
|
A:ASP125
|
4.0
|
16.8
|
1.0
|
C4'
|
E:DT6
|
4.0
|
21.2
|
1.0
|
C2'
|
E:DT6
|
4.1
|
20.6
|
1.0
|
O5'
|
E:DA7
|
4.2
|
22.7
|
1.0
|
C5'
|
E:DA7
|
4.2
|
23.4
|
1.0
|
OP2
|
E:DA7
|
4.3
|
28.7
|
1.0
|
OD2
|
A:ASP23
|
4.3
|
27.4
|
1.0
|
OD2
|
A:ASP125
|
4.3
|
14.7
|
1.0
|
O
|
A:VAL24
|
4.3
|
20.0
|
1.0
|
O
|
A:HOH552
|
4.5
|
24.2
|
1.0
|
CG
|
A:ASP125
|
4.6
|
16.0
|
1.0
|
O
|
A:HIS120
|
4.6
|
15.8
|
1.0
|
CB
|
A:ASP23
|
4.7
|
14.7
|
1.0
|
C5'
|
E:DT6
|
4.8
|
23.8
|
1.0
|
OD2
|
A:ASP186
|
4.9
|
29.9
|
1.0
|
|
Magnesium binding site 4 out
of 6 in 3v9w
Go back to
Magnesium Binding Sites List in 3v9w
Magnesium binding site 4 out
of 6 in the Crystal Structure of Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site
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 Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg101
b:21.0
occ:1.00
|
O
|
B:HOH434
|
2.4
|
25.9
|
1.0
|
OD1
|
B:ASP23
|
2.4
|
24.1
|
1.0
|
O
|
B:HOH409
|
2.5
|
19.5
|
1.0
|
O
|
B:HOH403
|
2.5
|
17.1
|
1.0
|
O3'
|
F:DT6
|
2.5
|
19.0
|
1.0
|
OP1
|
F:DA7
|
2.6
|
23.3
|
1.0
|
P
|
F:DA7
|
3.2
|
23.0
|
1.0
|
CG
|
B:ASP23
|
3.6
|
26.4
|
1.0
|
C3'
|
F:DT6
|
3.7
|
19.4
|
1.0
|
O
|
B:HOH430
|
3.8
|
18.9
|
1.0
|
MG
|
B:MG301
|
3.9
|
27.8
|
1.0
|
O
|
B:HOH404
|
4.0
|
15.3
|
1.0
|
C4'
|
F:DT6
|
4.0
|
17.8
|
1.0
|
OD1
|
B:ASP125
|
4.0
|
16.7
|
1.0
|
C2'
|
F:DT6
|
4.1
|
19.6
|
1.0
|
O5'
|
F:DA7
|
4.2
|
26.2
|
1.0
|
C5'
|
F:DA7
|
4.2
|
22.5
|
1.0
|
OP2
|
F:DA7
|
4.3
|
26.4
|
1.0
|
OD2
|
B:ASP23
|
4.3
|
24.0
|
1.0
|
O
|
B:VAL24
|
4.3
|
20.5
|
1.0
|
OD2
|
B:ASP125
|
4.4
|
15.1
|
1.0
|
O
|
F:HOH202
|
4.6
|
22.1
|
1.0
|
O
|
B:HIS120
|
4.6
|
15.6
|
1.0
|
CG
|
B:ASP125
|
4.7
|
16.3
|
1.0
|
CB
|
B:ASP23
|
4.7
|
15.4
|
1.0
|
C5'
|
F:DT6
|
4.8
|
22.2
|
1.0
|
OD2
|
B:ASP186
|
4.9
|
28.3
|
1.0
|
N
|
B:VAL24
|
5.0
|
17.1
|
1.0
|
|
Magnesium binding site 5 out
of 6 in 3v9w
Go back to
Magnesium Binding Sites List in 3v9w
Magnesium binding site 5 out
of 6 in the Crystal Structure of Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure of Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mg101
b:13.0
occ:1.00
|
OD1
|
C:ASP23
|
2.3
|
14.8
|
1.0
|
O
|
C:HOH409
|
2.4
|
12.9
|
1.0
|
O
|
C:HOH403
|
2.4
|
12.4
|
1.0
|
O
|
C:HOH406
|
2.4
|
15.9
|
1.0
|
O3'
|
G:DT6
|
2.5
|
12.0
|
1.0
|
OP1
|
G:DA7
|
2.6
|
12.9
|
1.0
|
P
|
G:DA7
|
3.1
|
11.9
|
1.0
|
CG
|
C:ASP23
|
3.6
|
14.7
|
1.0
|
C3'
|
G:DT6
|
3.7
|
12.0
|
1.0
|
O
|
C:HOH402
|
3.9
|
10.2
|
1.0
|
O
|
C:HOH408
|
3.9
|
15.3
|
1.0
|
OD2
|
C:ASP186
|
4.0
|
19.3
|
1.0
|
OD1
|
C:ASP125
|
4.0
|
13.2
|
1.0
|
CO
|
C:CO301
|
4.0
|
16.9
|
1.0
|
C4'
|
G:DT6
|
4.0
|
12.7
|
1.0
|
C2'
|
G:DT6
|
4.1
|
11.8
|
1.0
|
O5'
|
G:DA7
|
4.1
|
16.7
|
1.0
|
C5'
|
G:DA7
|
4.1
|
14.1
|
1.0
|
O
|
C:VAL24
|
4.2
|
14.9
|
1.0
|
OD2
|
C:ASP23
|
4.3
|
14.5
|
1.0
|
OP2
|
G:DA7
|
4.3
|
13.0
|
1.0
|
OD2
|
C:ASP125
|
4.3
|
12.7
|
1.0
|
O
|
G:HOH202
|
4.6
|
16.3
|
1.0
|
CG
|
C:ASP125
|
4.6
|
12.0
|
1.0
|
CB
|
C:ASP23
|
4.6
|
9.4
|
1.0
|
O
|
C:HIS120
|
4.7
|
10.7
|
1.0
|
OE1
|
C:GLU25
|
4.7
|
18.5
|
1.0
|
C5'
|
G:DT6
|
4.9
|
12.1
|
1.0
|
N
|
C:VAL24
|
4.9
|
13.2
|
1.0
|
CA
|
C:ASP23
|
5.0
|
10.8
|
1.0
|
|
Magnesium binding site 6 out
of 6 in 3v9w
Go back to
Magnesium Binding Sites List in 3v9w
Magnesium binding site 6 out
of 6 in the Crystal Structure of Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Crystal Structure of Rnase T in Complex with A Preferred Ssdna (Tta) with Two Mg in the Active Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Mg101
b:13.1
occ:1.00
|
OD1
|
D:ASP23
|
2.4
|
14.4
|
1.0
|
O
|
D:HOH405
|
2.4
|
12.9
|
1.0
|
O
|
D:HOH403
|
2.4
|
11.7
|
1.0
|
O
|
D:HOH411
|
2.4
|
15.6
|
1.0
|
O3'
|
H:DT6
|
2.5
|
13.8
|
1.0
|
OP1
|
H:DA7
|
2.7
|
12.8
|
1.0
|
P
|
H:DA7
|
3.2
|
13.1
|
1.0
|
CG
|
D:ASP23
|
3.6
|
15.0
|
1.0
|
C3'
|
H:DT6
|
3.7
|
14.6
|
1.0
|
OD2
|
D:ASP186
|
3.9
|
18.7
|
1.0
|
O
|
D:HOH410
|
3.9
|
13.2
|
1.0
|
OD1
|
D:ASP125
|
3.9
|
14.8
|
1.0
|
O
|
D:HOH404
|
4.0
|
9.9
|
1.0
|
CO
|
D:CO301
|
4.0
|
17.5
|
1.0
|
C4'
|
H:DT6
|
4.0
|
12.5
|
1.0
|
C2'
|
H:DT6
|
4.1
|
15.2
|
1.0
|
C5'
|
H:DA7
|
4.1
|
11.6
|
1.0
|
O5'
|
H:DA7
|
4.2
|
14.5
|
1.0
|
O
|
D:VAL24
|
4.2
|
14.9
|
1.0
|
OD2
|
D:ASP23
|
4.3
|
14.4
|
1.0
|
OP2
|
H:DA7
|
4.3
|
13.0
|
1.0
|
OD2
|
D:ASP125
|
4.3
|
12.9
|
1.0
|
O
|
H:HOH202
|
4.4
|
17.0
|
1.0
|
CG
|
D:ASP125
|
4.6
|
11.2
|
1.0
|
CB
|
D:ASP23
|
4.6
|
10.2
|
1.0
|
O
|
D:HIS120
|
4.6
|
12.2
|
1.0
|
OE1
|
D:GLU25
|
4.6
|
17.8
|
1.0
|
C5'
|
H:DT6
|
4.8
|
15.7
|
1.0
|
N
|
D:VAL24
|
5.0
|
14.9
|
1.0
|
CG
|
D:ASP186
|
5.0
|
19.1
|
1.0
|
|
Reference:
Y.-Y.Hsiao,
Y.Duh,
Y.P.Chen,
Y.T.Wang,
H.S.Yuan.
How An Exonuclease Decides Where to Stop in Trimming of Nucleic Acids: Crystal Structures of Rnase T-Product Complexes Nucleic Acids Res. V. 40 8144 2012.
ISSN: ISSN 0305-1048
PubMed: 22718982
DOI: 10.1093/NAR/GKS548
Page generated: Thu Aug 15 12:48:10 2024
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