Magnesium in PDB 8e9a: Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg
Enzymatic activity of Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg
All present enzymatic activity of Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg:
2.7.7.7;
Protein crystallography data
The structure of Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg, PDB code: 8e9a
was solved by
E.R.Cramer,
A.R.Robart,
A.I.Kaya,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
69.92 /
2.69
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
114.829,
48.419,
139.845,
90,
90,
90
|
R / Rfree (%)
|
25.5 /
28.9
|
Other elements in 8e9a:
The structure of Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg
(pdb code 8e9a). 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 Asfvpolx in Complex with 10-23 Dnazyme and Mg, PDB code: 8e9a:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
Magnesium binding site 1 out
of 6 in 8e9a
Go back to
Magnesium Binding Sites List in 8e9a
Magnesium binding site 1 out
of 6 in the Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg
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 Asfvpolx in Complex with 10-23 Dnazyme and Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg201
b:70.9
occ:1.00
|
OP1
|
C:DC52
|
1.9
|
80.4
|
1.0
|
OD2
|
A:ASP51
|
2.0
|
81.8
|
1.0
|
OD1
|
A:ASP49
|
2.1
|
82.8
|
1.0
|
OD1
|
A:ASP51
|
2.2
|
69.2
|
1.0
|
OD2
|
A:ASP49
|
2.2
|
71.7
|
1.0
|
O
|
C:HOH202
|
2.3
|
68.2
|
1.0
|
CG
|
A:ASP49
|
2.4
|
73.3
|
1.0
|
CG
|
A:ASP51
|
2.4
|
71.0
|
1.0
|
P
|
C:DC52
|
3.4
|
87.5
|
1.0
|
O
|
A:HOH301
|
3.4
|
71.2
|
1.0
|
H5''
|
C:DC52
|
3.7
|
106.1
|
1.0
|
H
|
A:SER39
|
3.8
|
84.4
|
1.0
|
OD2
|
A:ASP100
|
3.8
|
63.8
|
1.0
|
CB
|
A:ASP49
|
3.8
|
58.5
|
1.0
|
CB
|
A:ASP51
|
3.9
|
57.4
|
1.0
|
HG
|
A:SER39
|
4.0
|
106.0
|
1.0
|
OG
|
A:SER39
|
4.0
|
88.2
|
1.0
|
O5'
|
C:DC52
|
4.1
|
87.4
|
1.0
|
HB2
|
A:ASP49
|
4.1
|
70.3
|
1.0
|
O3'
|
C:DG51
|
4.1
|
70.1
|
1.0
|
HA3
|
A:GLY38
|
4.1
|
84.4
|
1.0
|
O
|
A:ASP49
|
4.1
|
71.0
|
1.0
|
C5'
|
C:DC52
|
4.3
|
88.4
|
1.0
|
HB3
|
A:ASP51
|
4.3
|
69.0
|
1.0
|
C
|
A:ASP49
|
4.3
|
61.2
|
1.0
|
HB2
|
A:ASP51
|
4.3
|
69.0
|
1.0
|
H5'
|
C:DC52
|
4.4
|
106.1
|
1.0
|
HB3
|
A:ASP49
|
4.4
|
70.3
|
1.0
|
OP2
|
C:DC52
|
4.4
|
53.4
|
1.0
|
H
|
A:ASP49
|
4.4
|
81.4
|
1.0
|
CA
|
A:ASP49
|
4.5
|
48.6
|
1.0
|
H
|
A:ASP51
|
4.5
|
74.1
|
1.0
|
N
|
A:ASP51
|
4.6
|
61.6
|
1.0
|
N
|
A:SER39
|
4.6
|
70.3
|
1.0
|
N
|
A:ASP49
|
4.7
|
67.8
|
1.0
|
CA
|
A:ASP51
|
4.8
|
60.8
|
1.0
|
N
|
A:VAL50
|
4.8
|
65.2
|
1.0
|
C
|
A:VAL50
|
4.9
|
65.6
|
1.0
|
HB3
|
A:SER39
|
5.0
|
71.2
|
1.0
|
HA
|
A:VAL50
|
5.0
|
80.7
|
1.0
|
HA
|
A:ASP51
|
5.0
|
73.0
|
1.0
|
CA
|
A:GLY38
|
5.0
|
70.2
|
1.0
|
|
Magnesium binding site 2 out
of 6 in 8e9a
Go back to
Magnesium Binding Sites List in 8e9a
Magnesium binding site 2 out
of 6 in the Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg
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 Asfvpolx in Complex with 10-23 Dnazyme and Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg201
b:76.1
occ:1.00
|
OP1
|
C:DA40
|
1.9
|
63.3
|
1.0
|
OE1
|
B:GLU91
|
2.1
|
83.4
|
1.0
|
CD
|
B:GLU91
|
2.8
|
79.9
|
1.0
|
P
|
C:DA40
|
3.0
|
80.1
|
1.0
|
OE2
|
B:GLU91
|
3.3
|
80.1
|
1.0
|
OP2
|
C:DA40
|
3.4
|
70.1
|
1.0
|
HB3
|
B:GLU91
|
3.5
|
94.2
|
1.0
|
CG
|
B:GLU91
|
3.8
|
83.7
|
1.0
|
HG3
|
B:GLU91
|
3.8
|
100.5
|
1.0
|
O5'
|
C:DA40
|
3.8
|
78.8
|
1.0
|
CB
|
B:GLU91
|
4.2
|
78.4
|
1.0
|
OG1
|
B:THR96
|
4.2
|
69.5
|
1.0
|
H5''
|
C:DA40
|
4.2
|
93.0
|
1.0
|
HG1
|
B:THR96
|
4.3
|
83.5
|
1.0
|
O3'
|
C:DC39
|
4.3
|
65.7
|
1.0
|
O
|
B:LYS94
|
4.4
|
87.5
|
1.0
|
C5'
|
C:DA40
|
4.6
|
77.5
|
1.0
|
HG2
|
B:GLU91
|
4.6
|
100.5
|
1.0
|
HB2
|
B:GLU91
|
4.8
|
94.2
|
1.0
|
HA
|
B:GLU91
|
4.9
|
85.6
|
1.0
|
|
Magnesium binding site 3 out
of 6 in 8e9a
Go back to
Magnesium Binding Sites List in 8e9a
Magnesium binding site 3 out
of 6 in the Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg
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 Asfvpolx in Complex with 10-23 Dnazyme and Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg101
b:96.6
occ:1.00
|
OP2
|
C:DC10
|
2.2
|
118.2
|
1.0
|
HM'2
|
C:A2M9
|
2.4
|
157.5
|
1.0
|
H3'
|
C:A2M9
|
2.4
|
159.6
|
1.0
|
O2'
|
C:A2M9
|
2.6
|
147.5
|
1.0
|
CM'
|
C:A2M9
|
2.9
|
131.1
|
1.0
|
C3'
|
C:A2M9
|
3.0
|
132.9
|
1.0
|
C2'
|
C:A2M9
|
3.0
|
131.9
|
1.0
|
H2'
|
C:A2M9
|
3.2
|
158.3
|
1.0
|
HM'3
|
C:A2M9
|
3.3
|
157.5
|
1.0
|
P
|
C:DC10
|
3.3
|
149.7
|
1.0
|
O3'
|
C:A2M9
|
3.6
|
140.9
|
1.0
|
HM'1
|
C:A2M9
|
3.7
|
157.5
|
1.0
|
OP1
|
C:A2M9
|
3.8
|
100.5
|
1.0
|
O5'
|
C:DC10
|
3.8
|
142.8
|
1.0
|
H5''
|
C:A2M9
|
4.1
|
128.5
|
1.0
|
C4'
|
C:A2M9
|
4.3
|
113.4
|
1.0
|
HO3'
|
C:A2M9
|
4.4
|
169.2
|
1.0
|
C1'
|
C:A2M9
|
4.5
|
115.7
|
1.0
|
H6
|
C:DC10
|
4.6
|
167.1
|
1.0
|
C5'
|
C:A2M9
|
4.6
|
107.0
|
1.0
|
OP1
|
C:DC10
|
4.7
|
153.2
|
1.0
|
P
|
C:A2M9
|
4.7
|
121.1
|
1.0
|
H1'
|
C:A2M9
|
4.7
|
138.9
|
1.0
|
OP2
|
C:A2M9
|
4.9
|
72.2
|
1.0
|
O5'
|
C:A2M9
|
4.9
|
113.7
|
1.0
|
H4'
|
C:A2M9
|
4.9
|
136.2
|
1.0
|
H3'
|
C:DC10
|
5.0
|
173.6
|
1.0
|
|
Magnesium binding site 4 out
of 6 in 8e9a
Go back to
Magnesium Binding Sites List in 8e9a
Magnesium binding site 4 out
of 6 in the Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg
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 Asfvpolx in Complex with 10-23 Dnazyme and Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg101
b:103.9
occ:1.00
|
H1'
|
D:A2M9
|
2.3
|
125.5
|
1.0
|
O
|
D:HOH203
|
2.4
|
121.5
|
1.0
|
H5'
|
D:DC10
|
2.5
|
132.5
|
1.0
|
HO3'
|
D:A2M9
|
2.5
|
136.5
|
1.0
|
O3'
|
D:A2M9
|
2.6
|
113.7
|
1.0
|
O4'
|
D:A2M9
|
2.8
|
100.9
|
1.0
|
C1'
|
D:A2M9
|
2.9
|
104.5
|
1.0
|
C5'
|
D:DC10
|
3.3
|
110.4
|
1.0
|
P
|
D:DC10
|
3.3
|
138.9
|
1.0
|
O5'
|
D:DC10
|
3.4
|
108.3
|
1.0
|
C3'
|
D:A2M9
|
3.5
|
105.1
|
1.0
|
OP1
|
D:DC10
|
3.5
|
116.0
|
1.0
|
C4'
|
D:A2M9
|
3.6
|
108.8
|
1.0
|
H4'
|
D:A2M9
|
3.6
|
130.6
|
1.0
|
C2'
|
D:A2M9
|
3.8
|
105.0
|
1.0
|
H5''
|
D:DC10
|
3.9
|
132.5
|
1.0
|
N3
|
D:A2M9
|
3.9
|
105.4
|
1.0
|
N9
|
D:A2M9
|
4.0
|
99.5
|
1.0
|
O4'
|
D:DC10
|
4.1
|
112.5
|
1.0
|
C4'
|
D:DC10
|
4.3
|
110.3
|
1.0
|
O2'
|
D:A2M9
|
4.3
|
107.3
|
1.0
|
C4
|
D:A2M9
|
4.3
|
99.3
|
1.0
|
H3'
|
D:A2M9
|
4.4
|
126.2
|
1.0
|
H6
|
D:DC10
|
4.5
|
115.4
|
1.0
|
MG
|
D:MG103
|
4.5
|
111.3
|
1.0
|
H2'
|
D:A2M9
|
4.6
|
126.1
|
1.0
|
OP2
|
D:DC10
|
4.6
|
107.4
|
1.0
|
H4'
|
D:DC10
|
4.7
|
132.5
|
1.0
|
|
Magnesium binding site 5 out
of 6 in 8e9a
Go back to
Magnesium Binding Sites List in 8e9a
Magnesium binding site 5 out
of 6 in the Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg
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 Asfvpolx in Complex with 10-23 Dnazyme and Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg102
b:92.2
occ:1.00
|
O
|
D:HOH208
|
2.2
|
67.2
|
1.0
|
O
|
D:HOH201
|
2.2
|
60.2
|
1.0
|
HM'1
|
D:A2M9
|
2.8
|
118.2
|
1.0
|
OP2
|
D:DC10
|
3.0
|
107.4
|
1.0
|
H3'
|
D:A2M9
|
3.0
|
126.2
|
1.0
|
HM'2
|
D:A2M9
|
3.1
|
118.2
|
1.0
|
CM'
|
D:A2M9
|
3.4
|
98.5
|
1.0
|
OP1
|
D:A2M9
|
3.9
|
87.0
|
1.0
|
C3'
|
D:A2M9
|
3.9
|
105.1
|
1.0
|
O2'
|
D:A2M9
|
4.0
|
107.3
|
1.0
|
O5'
|
D:A2M9
|
4.0
|
106.8
|
1.0
|
HM'3
|
D:A2M9
|
4.1
|
118.2
|
1.0
|
H2'
|
D:A2M9
|
4.4
|
126.1
|
1.0
|
P
|
D:DC10
|
4.4
|
138.9
|
1.0
|
C2'
|
D:A2M9
|
4.4
|
105.0
|
1.0
|
O3'
|
D:A2M9
|
4.5
|
113.7
|
1.0
|
P
|
D:A2M9
|
4.6
|
88.9
|
1.0
|
|
Magnesium binding site 6 out
of 6 in 8e9a
Go back to
Magnesium Binding Sites List in 8e9a
Magnesium binding site 6 out
of 6 in the Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg
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 Asfvpolx in Complex with 10-23 Dnazyme and Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg103
b:111.3
occ:1.00
|
H3'
|
D:DC10
|
1.6
|
140.9
|
1.0
|
O5'
|
D:DC10
|
1.8
|
108.3
|
1.0
|
H6
|
D:DC10
|
2.0
|
115.4
|
1.0
|
C3'
|
D:DC10
|
2.1
|
117.4
|
1.0
|
O4'
|
D:DC10
|
2.2
|
112.5
|
1.0
|
C4'
|
D:DC10
|
2.2
|
110.3
|
1.0
|
C5'
|
D:DC10
|
2.4
|
110.4
|
1.0
|
O2'
|
D:A2M9
|
2.4
|
107.3
|
1.0
|
H2'
|
D:DC10
|
2.5
|
146.1
|
1.0
|
C2'
|
D:DC10
|
2.5
|
121.7
|
1.0
|
C1'
|
D:DC10
|
2.6
|
113.0
|
1.0
|
C6
|
D:DC10
|
2.7
|
96.1
|
1.0
|
H5'
|
D:DC10
|
3.0
|
132.5
|
1.0
|
N1
|
D:DC10
|
3.0
|
104.0
|
1.0
|
HM'2
|
D:A2M9
|
3.1
|
118.2
|
1.0
|
H5''
|
D:DC10
|
3.1
|
132.5
|
1.0
|
H4'
|
D:DC10
|
3.2
|
132.5
|
1.0
|
CM'
|
D:A2M9
|
3.3
|
98.5
|
1.0
|
P
|
D:DC10
|
3.3
|
138.9
|
1.0
|
H1'
|
D:A2M9
|
3.4
|
125.5
|
1.0
|
O3'
|
D:DC10
|
3.5
|
123.9
|
1.0
|
H2''
|
D:DC10
|
3.5
|
146.1
|
1.0
|
HM'3
|
D:A2M9
|
3.5
|
118.2
|
1.0
|
H1'
|
D:DC10
|
3.6
|
135.7
|
1.0
|
C2'
|
D:A2M9
|
3.6
|
105.0
|
1.0
|
OP2
|
D:DC10
|
3.7
|
107.4
|
1.0
|
C5
|
D:DC10
|
3.8
|
84.9
|
1.0
|
C1'
|
D:A2M9
|
4.0
|
104.5
|
1.0
|
O3'
|
D:A2M9
|
4.0
|
113.7
|
1.0
|
H5
|
D:DC10
|
4.1
|
102.0
|
1.0
|
HM'1
|
D:A2M9
|
4.1
|
118.2
|
1.0
|
OP2
|
D:DA11
|
4.1
|
129.4
|
1.0
|
C3'
|
D:A2M9
|
4.2
|
105.1
|
1.0
|
H2'
|
D:A2M9
|
4.3
|
126.1
|
1.0
|
OP1
|
D:DC10
|
4.3
|
116.0
|
1.0
|
C2
|
D:DC10
|
4.4
|
106.4
|
1.0
|
MG
|
D:MG101
|
4.5
|
103.9
|
1.0
|
P
|
D:DA11
|
4.5
|
144.3
|
1.0
|
N3
|
D:A2M9
|
4.5
|
105.4
|
1.0
|
H3'
|
D:A2M9
|
4.6
|
126.2
|
1.0
|
H8
|
D:DA11
|
4.7
|
146.9
|
1.0
|
N9
|
D:A2M9
|
4.7
|
99.5
|
1.0
|
HO3'
|
D:A2M9
|
4.8
|
136.5
|
1.0
|
C4
|
D:A2M9
|
4.9
|
99.3
|
1.0
|
C4
|
D:DC10
|
5.0
|
99.7
|
1.0
|
|
Reference:
E.R.Cramer,
S.A.Starcovic,
R.M.Avey,
A.I.Kaya,
A.R.Robart.
Structure of A 10-23 Deoxyribozyme Exhibiting A Homodimer Conformation. Commun Chem V. 6 119 2023.
ISSN: ESSN 2399-3669
PubMed: 37301907
DOI: 10.1038/S42004-023-00924-3
Page generated: Fri Oct 4 01:06:31 2024
|