Magnesium in PDB 4m30: Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage)
Enzymatic activity of Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage)
All present enzymatic activity of Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage):
3.1.26.3;
Protein crystallography data
The structure of Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage), PDB code: 4m30
was solved by
J.Gan,
Y.-H.Liang,
G.X.Shaw,
J.E.Tropea,
D.S.Waugh,
X.Ji,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.12 /
2.50
|
Space group
|
P 32 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
81.104,
81.104,
223.962,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
19.8 /
26.1
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage)
(pdb code 4m30). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 9 binding sites of Magnesium where determined in the
Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage), PDB code: 4m30:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Magnesium binding site 1 out
of 9 in 4m30
Go back to
Magnesium Binding Sites List in 4m30
Magnesium binding site 1 out
of 9 in the Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage)
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 III Complexed with Double-Stranded Rna and Amp (Type II Cleavage) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg501
b:60.5
occ:1.00
|
OE2
|
A:GLU110
|
2.0
|
62.5
|
1.0
|
OD1
|
A:ASP44
|
2.0
|
58.6
|
1.0
|
O
|
D:HOH201
|
2.0
|
66.7
|
1.0
|
OP1
|
C:A103
|
2.1
|
67.7
|
1.0
|
O3'
|
D:U28
|
2.1
|
62.2
|
1.0
|
O
|
A:HOH601
|
2.1
|
62.1
|
1.0
|
CG
|
A:ASP44
|
3.0
|
65.9
|
1.0
|
CD
|
A:GLU110
|
3.1
|
64.0
|
1.0
|
C3'
|
D:U28
|
3.4
|
59.1
|
1.0
|
CB
|
A:ASP44
|
3.4
|
63.2
|
1.0
|
O2'
|
D:U28
|
3.5
|
63.6
|
1.0
|
P
|
C:A103
|
3.5
|
71.9
|
1.0
|
MG
|
A:MG502
|
3.5
|
69.7
|
1.0
|
OE1
|
A:GLU110
|
3.6
|
69.2
|
1.0
|
C2'
|
D:U28
|
4.0
|
58.8
|
1.0
|
C4'
|
D:U28
|
4.0
|
65.5
|
1.0
|
CA
|
A:ASP44
|
4.0
|
60.8
|
1.0
|
O5'
|
C:A103
|
4.0
|
58.5
|
1.0
|
OD2
|
A:ASP44
|
4.1
|
61.7
|
1.0
|
OP3
|
C:A103
|
4.2
|
66.1
|
1.0
|
C5'
|
C:A103
|
4.3
|
62.7
|
1.0
|
O
|
A:HOH602
|
4.3
|
69.5
|
1.0
|
CG
|
A:GLU110
|
4.4
|
61.0
|
1.0
|
OD1
|
A:ASN48
|
4.5
|
59.1
|
1.0
|
O
|
A:ILE75
|
4.5
|
62.4
|
1.0
|
O
|
A:HOH603
|
4.5
|
68.8
|
1.0
|
CE2
|
A:PHE80
|
4.5
|
64.5
|
1.0
|
OP2
|
C:A103
|
4.6
|
78.9
|
1.0
|
C5'
|
D:U28
|
4.7
|
58.4
|
1.0
|
C
|
A:ASP44
|
4.9
|
63.2
|
1.0
|
ND2
|
A:ASN48
|
4.9
|
55.9
|
1.0
|
O
|
A:ASP44
|
4.9
|
60.8
|
1.0
|
|
Magnesium binding site 2 out
of 9 in 4m30
Go back to
Magnesium Binding Sites List in 4m30
Magnesium binding site 2 out
of 9 in the Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage)
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 III Complexed with Double-Stranded Rna and Amp (Type II Cleavage) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg502
b:69.7
occ:1.00
|
O
|
A:HOH602
|
2.0
|
69.5
|
1.0
|
O
|
A:HOH603
|
2.0
|
68.8
|
1.0
|
OE2
|
A:GLU40
|
2.0
|
73.8
|
1.0
|
OE1
|
A:GLU110
|
2.1
|
69.2
|
1.0
|
OP2
|
C:A103
|
2.1
|
78.9
|
1.0
|
OP1
|
C:A103
|
2.1
|
67.7
|
1.0
|
P
|
C:A103
|
2.4
|
71.9
|
1.0
|
CD
|
A:GLU110
|
3.1
|
64.0
|
1.0
|
CD
|
A:GLU40
|
3.2
|
71.7
|
1.0
|
OE2
|
A:GLU110
|
3.3
|
62.5
|
1.0
|
OP3
|
C:A103
|
3.5
|
66.1
|
1.0
|
MG
|
A:MG501
|
3.5
|
60.5
|
1.0
|
O5'
|
C:A103
|
3.6
|
58.5
|
1.0
|
CG
|
A:GLU40
|
3.7
|
61.6
|
1.0
|
O
|
A:HOH622
|
3.9
|
77.5
|
1.0
|
C5'
|
C:A103
|
3.9
|
62.7
|
1.0
|
O
|
D:HOH201
|
4.0
|
66.7
|
1.0
|
CB
|
A:ASP44
|
4.2
|
63.2
|
1.0
|
OE1
|
A:GLU40
|
4.3
|
71.2
|
1.0
|
OD1
|
A:ASP107
|
4.3
|
74.7
|
1.0
|
O
|
A:GLU40
|
4.3
|
62.8
|
1.0
|
O3'
|
D:U28
|
4.4
|
62.2
|
1.0
|
CG
|
A:GLU110
|
4.4
|
61.0
|
1.0
|
OD1
|
A:ASP44
|
4.5
|
58.6
|
1.0
|
CG
|
A:ASP44
|
4.7
|
65.9
|
1.0
|
CB
|
A:GLU110
|
4.8
|
61.5
|
1.0
|
C
|
A:GLU40
|
4.9
|
59.2
|
1.0
|
CB
|
A:GLU40
|
4.9
|
61.8
|
1.0
|
|
Magnesium binding site 3 out
of 9 in 4m30
Go back to
Magnesium Binding Sites List in 4m30
Magnesium binding site 3 out
of 9 in the Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage)
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 III Complexed with Double-Stranded Rna and Amp (Type II Cleavage) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg301
b:60.1
occ:1.00
|
OD1
|
B:ASP44
|
1.9
|
52.3
|
1.0
|
O
|
C:HOH218
|
2.0
|
58.4
|
1.0
|
OP1
|
D:A104
|
2.0
|
72.1
|
1.0
|
OE2
|
B:GLU110
|
2.1
|
64.9
|
1.0
|
O3'
|
C:U28
|
2.1
|
64.3
|
1.0
|
O
|
B:HOH401
|
2.1
|
55.9
|
1.0
|
CG
|
B:ASP44
|
3.0
|
61.9
|
1.0
|
CD
|
B:GLU110
|
3.1
|
70.2
|
1.0
|
C3'
|
C:U28
|
3.4
|
49.0
|
1.0
|
P
|
D:A104
|
3.4
|
69.3
|
1.0
|
OE1
|
B:GLU110
|
3.5
|
69.7
|
1.0
|
CB
|
B:ASP44
|
3.5
|
59.6
|
1.0
|
O2'
|
C:U28
|
3.6
|
51.5
|
1.0
|
MG
|
B:MG302
|
3.6
|
75.8
|
1.0
|
OD2
|
B:ASP44
|
4.0
|
61.5
|
1.0
|
C2'
|
C:U28
|
4.0
|
57.9
|
1.0
|
C4'
|
C:U28
|
4.0
|
52.9
|
1.0
|
O5'
|
D:A104
|
4.0
|
63.6
|
1.0
|
OP3
|
D:A104
|
4.0
|
64.5
|
1.0
|
CA
|
B:ASP44
|
4.3
|
62.1
|
1.0
|
C5'
|
D:A104
|
4.4
|
63.2
|
1.0
|
O
|
B:HOH414
|
4.4
|
66.6
|
1.0
|
CG
|
B:GLU110
|
4.5
|
67.1
|
1.0
|
O
|
B:ILE75
|
4.5
|
59.4
|
1.0
|
CE2
|
B:PHE80
|
4.5
|
68.6
|
1.0
|
OD1
|
B:ASN48
|
4.5
|
60.4
|
1.0
|
OP2
|
D:A104
|
4.6
|
82.2
|
1.0
|
C5'
|
C:U28
|
4.7
|
53.9
|
1.0
|
ND2
|
B:ASN48
|
4.8
|
54.9
|
1.0
|
|
Magnesium binding site 4 out
of 9 in 4m30
Go back to
Magnesium Binding Sites List in 4m30
Magnesium binding site 4 out
of 9 in the Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage)
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 III Complexed with Double-Stranded Rna and Amp (Type II Cleavage) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg302
b:75.8
occ:1.00
|
O
|
B:HOH414
|
2.0
|
66.6
|
1.0
|
OE1
|
B:GLU110
|
2.1
|
69.7
|
1.0
|
OE2
|
B:GLU40
|
2.1
|
84.1
|
1.0
|
OP2
|
D:A104
|
2.1
|
82.2
|
1.0
|
OP1
|
D:A104
|
2.2
|
72.1
|
1.0
|
P
|
D:A104
|
2.5
|
69.3
|
1.0
|
CD
|
B:GLU110
|
3.1
|
70.2
|
1.0
|
CD
|
B:GLU40
|
3.3
|
82.7
|
1.0
|
OP3
|
D:A104
|
3.4
|
64.5
|
1.0
|
O
|
D:HOH211
|
3.5
|
76.8
|
1.0
|
OE2
|
B:GLU110
|
3.5
|
64.9
|
1.0
|
MG
|
B:MG301
|
3.6
|
60.1
|
1.0
|
O
|
D:HOH212
|
3.8
|
80.1
|
1.0
|
CG
|
B:GLU40
|
3.8
|
74.9
|
1.0
|
O5'
|
D:A104
|
3.9
|
63.6
|
1.0
|
OD1
|
B:ASP107
|
4.1
|
79.2
|
1.0
|
O
|
C:HOH218
|
4.1
|
58.4
|
1.0
|
C5'
|
D:A104
|
4.3
|
63.2
|
1.0
|
OE1
|
B:GLU40
|
4.3
|
80.5
|
1.0
|
CG
|
B:GLU110
|
4.4
|
67.1
|
1.0
|
O3'
|
C:U28
|
4.5
|
64.3
|
1.0
|
CB
|
B:ASP44
|
4.6
|
59.6
|
1.0
|
OD1
|
B:ASP44
|
4.7
|
52.3
|
1.0
|
CG
|
B:ASP107
|
4.7
|
80.9
|
1.0
|
O
|
B:GLU40
|
4.8
|
70.5
|
1.0
|
OE2
|
A:GLU64
|
4.9
|
96.0
|
1.0
|
CG
|
B:ASP44
|
4.9
|
61.9
|
1.0
|
|
Magnesium binding site 5 out
of 9 in 4m30
Go back to
Magnesium Binding Sites List in 4m30
Magnesium binding site 5 out
of 9 in the Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage)
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 III Complexed with Double-Stranded Rna and Amp (Type II Cleavage) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg101
b:90.9
occ:1.00
|
OP1
|
C:A2
|
2.0
|
80.0
|
1.0
|
O
|
A:HOH623
|
2.0
|
84.4
|
1.0
|
O
|
A:HOH621
|
2.0
|
74.5
|
1.0
|
O
|
C:HOH215
|
2.0
|
84.9
|
1.0
|
O
|
A:HOH622
|
2.1
|
77.5
|
1.0
|
O
|
C:HOH216
|
2.1
|
81.4
|
1.0
|
P
|
C:A2
|
3.4
|
83.8
|
1.0
|
OE2
|
B:GLU64
|
3.9
|
85.7
|
1.0
|
OD2
|
A:ASP107
|
4.0
|
73.2
|
1.0
|
C5'
|
C:A2
|
4.1
|
72.4
|
1.0
|
OP2
|
C:A2
|
4.1
|
79.7
|
1.0
|
OD1
|
A:ASP107
|
4.3
|
74.7
|
1.0
|
O5'
|
C:A2
|
4.3
|
80.0
|
1.0
|
OE1
|
A:GLU40
|
4.3
|
71.2
|
1.0
|
OP3
|
C:A2
|
4.3
|
77.7
|
1.0
|
CG
|
A:ASP107
|
4.5
|
73.4
|
1.0
|
OE2
|
A:GLU40
|
4.6
|
73.8
|
1.0
|
OP2
|
C:A103
|
4.7
|
78.9
|
1.0
|
OP1
|
C:U19
|
4.8
|
79.3
|
1.0
|
CD
|
A:GLU40
|
4.9
|
71.7
|
1.0
|
O
|
C:HOH213
|
4.9
|
86.8
|
1.0
|
CD
|
B:GLU64
|
4.9
|
0.9
|
1.0
|
|
Magnesium binding site 6 out
of 9 in 4m30
Go back to
Magnesium Binding Sites List in 4m30
Magnesium binding site 6 out
of 9 in the Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage)
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 III Complexed with Double-Stranded Rna and Amp (Type II Cleavage) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg102
b:83.7
occ:1.00
|
OP2
|
C:A3
|
2.0
|
64.7
|
1.0
|
OP2
|
C:A2
|
2.0
|
79.7
|
1.0
|
O
|
C:HOH213
|
2.0
|
86.8
|
1.0
|
O
|
C:HOH217
|
2.1
|
76.2
|
1.0
|
O
|
C:HOH214
|
2.1
|
76.8
|
1.0
|
P
|
C:A2
|
3.3
|
83.8
|
1.0
|
P
|
C:A3
|
3.5
|
74.5
|
1.0
|
O5'
|
C:A2
|
3.7
|
80.0
|
1.0
|
O
|
C:HOH216
|
4.1
|
81.4
|
1.0
|
C3'
|
C:A2
|
4.1
|
74.6
|
1.0
|
N7
|
C:A3
|
4.2
|
60.1
|
1.0
|
OP1
|
C:A2
|
4.2
|
80.0
|
1.0
|
O5'
|
C:A3
|
4.3
|
66.1
|
1.0
|
O3'
|
C:A2
|
4.3
|
85.7
|
1.0
|
OP3
|
C:A2
|
4.3
|
77.7
|
1.0
|
C8
|
C:A3
|
4.4
|
63.9
|
1.0
|
C5'
|
C:A2
|
4.4
|
72.4
|
1.0
|
OP1
|
C:A3
|
4.4
|
89.7
|
1.0
|
O
|
C:HOH202
|
4.7
|
68.1
|
1.0
|
C4'
|
C:A2
|
4.9
|
72.1
|
1.0
|
|
Magnesium binding site 7 out
of 9 in 4m30
Go back to
Magnesium Binding Sites List in 4m30
Magnesium binding site 7 out
of 9 in the Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg101
b:95.9
occ:1.00
|
O
|
D:HOH209
|
2.0
|
82.6
|
1.0
|
O
|
D:HOH211
|
2.0
|
76.8
|
1.0
|
OP1
|
D:A2
|
2.0
|
85.2
|
1.0
|
O
|
A:HOH624
|
2.0
|
82.3
|
1.0
|
O
|
B:HOH415
|
2.1
|
80.4
|
1.0
|
O
|
D:HOH212
|
2.1
|
80.1
|
1.0
|
P
|
D:A2
|
3.2
|
84.0
|
1.0
|
OE1
|
A:GLU64
|
3.5
|
86.8
|
1.0
|
C5'
|
D:A2
|
3.8
|
72.8
|
1.0
|
OP2
|
D:A2
|
3.8
|
82.7
|
1.0
|
OE2
|
A:GLU64
|
3.9
|
96.0
|
1.0
|
OD2
|
B:ASP107
|
3.9
|
83.9
|
1.0
|
O5'
|
D:A2
|
3.9
|
71.7
|
1.0
|
CD
|
A:GLU64
|
4.1
|
0.1
|
1.0
|
OE2
|
B:GLU40
|
4.1
|
84.1
|
1.0
|
OE1
|
B:GLU40
|
4.2
|
80.5
|
1.0
|
OP2
|
D:A104
|
4.2
|
82.2
|
1.0
|
OP3
|
D:A2
|
4.4
|
77.5
|
1.0
|
CD
|
B:GLU40
|
4.6
|
82.7
|
1.0
|
CG
|
B:ASP107
|
4.7
|
80.9
|
1.0
|
OP1
|
D:U19
|
4.7
|
96.9
|
1.0
|
OD1
|
B:ASP107
|
4.7
|
79.2
|
1.0
|
|
Magnesium binding site 8 out
of 9 in 4m30
Go back to
Magnesium Binding Sites List in 4m30
Magnesium binding site 8 out
of 9 in the Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg102
b:83.1
occ:1.00
|
O
|
D:HOH204
|
2.0
|
81.7
|
1.0
|
OP2
|
D:A3
|
2.0
|
55.8
|
1.0
|
OP2
|
D:A2
|
2.1
|
82.7
|
1.0
|
O
|
D:HOH210
|
2.1
|
69.5
|
1.0
|
P
|
D:A3
|
3.5
|
70.4
|
1.0
|
P
|
D:A2
|
3.6
|
84.0
|
1.0
|
OP3
|
D:A2
|
4.1
|
77.5
|
1.0
|
O
|
A:HOH624
|
4.1
|
82.3
|
1.0
|
C3'
|
D:A2
|
4.2
|
70.2
|
1.0
|
O5'
|
D:A3
|
4.3
|
67.4
|
1.0
|
O5'
|
D:A2
|
4.3
|
71.7
|
1.0
|
N7
|
D:A3
|
4.3
|
59.3
|
1.0
|
O3'
|
D:A2
|
4.4
|
83.8
|
1.0
|
OP1
|
D:A3
|
4.5
|
79.0
|
1.0
|
C8
|
D:A3
|
4.5
|
60.9
|
1.0
|
OP1
|
D:A2
|
4.6
|
85.2
|
1.0
|
C5'
|
D:A2
|
4.8
|
72.8
|
1.0
|
O
|
D:HOH208
|
4.8
|
71.2
|
1.0
|
|
Magnesium binding site 9 out
of 9 in 4m30
Go back to
Magnesium Binding Sites List in 4m30
Magnesium binding site 9 out
of 9 in the Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Crystal Structure of Rnase III Complexed with Double-Stranded Rna and Amp (Type II Cleavage) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg103
b:92.0
occ:1.00
|
OP1
|
D:C23
|
3.1
|
84.0
|
1.0
|
OP2
|
D:C23
|
3.6
|
80.3
|
1.0
|
P
|
D:C23
|
3.8
|
87.8
|
1.0
|
CD
|
B:LYS202
|
4.3
|
89.5
|
1.0
|
OE2
|
B:GLU206
|
4.6
|
74.6
|
1.0
|
CB
|
B:LYS202
|
4.6
|
82.3
|
1.0
|
O5'
|
D:C23
|
4.7
|
80.9
|
1.0
|
OE1
|
B:GLU206
|
5.0
|
77.1
|
1.0
|
|
Reference:
D.L.Court,
J.Gan,
Y.H.Liang,
G.X.Shaw,
J.E.Tropea,
N.Costantino,
D.S.Waugh,
X.Ji.
Rnase III: Genetics and Function; Structure and Mechanism. Annu. Rev. Genet. V. 47 405 2013.
PubMed: 24274754
DOI: 10.1146/ANNUREV-GENET-110711-155618
Page generated: Mon Aug 19 20:14:49 2024
|