Calcium in PDB 5vs2: Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation
Enzymatic activity of Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation
All present enzymatic activity of Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation:
2.7.7.7;
Protein crystallography data
The structure of Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation, PDB code: 5vs2
was solved by
A.J.Reed,
Z.Suo,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.64 /
2.33
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
50.940,
80.490,
55.660,
90.00,
107.28,
90.00
|
R / Rfree (%)
|
18.7 /
25
|
Other elements in 5vs2:
The structure of Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation
(pdb code 5vs2). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the
Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation, PDB code: 5vs2:
Jump to Calcium binding site number:
1;
2;
3;
Calcium binding site 1 out
of 3 in 5vs2
Go back to
Calcium Binding Sites List in 5vs2
Calcium binding site 1 out
of 3 in the Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation
 Mono view
 Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
P:Ca101
b:13.5
occ:1.00
|
OD1
|
A:ASP192
|
2.2
|
11.7
|
1.0
|
OD2
|
A:ASP256
|
2.3
|
17.4
|
1.0
|
OD2
|
A:ASP190
|
2.3
|
17.1
|
1.0
|
O3'
|
P:DA10
|
2.3
|
11.7
|
1.0
|
O
|
A:HOH532
|
2.4
|
16.0
|
1.0
|
O2A
|
A:TTP401
|
2.5
|
13.7
|
1.0
|
OD1
|
A:ASP190
|
2.6
|
14.7
|
1.0
|
CG
|
A:ASP190
|
2.8
|
16.4
|
1.0
|
CG
|
A:ASP192
|
3.3
|
13.0
|
1.0
|
C3'
|
P:DA10
|
3.4
|
13.7
|
1.0
|
CG
|
A:ASP256
|
3.5
|
16.4
|
1.0
|
PA
|
A:TTP401
|
3.6
|
14.4
|
1.0
|
OD2
|
A:ASP192
|
3.7
|
12.3
|
1.0
|
CA
|
A:CA402
|
3.8
|
21.0
|
1.0
|
O5'
|
A:TTP401
|
3.9
|
12.7
|
1.0
|
C4'
|
P:DA10
|
4.1
|
14.3
|
1.0
|
CB
|
A:ASP256
|
4.2
|
15.7
|
1.0
|
C5'
|
A:TTP401
|
4.2
|
12.3
|
1.0
|
O1A
|
A:TTP401
|
4.2
|
14.9
|
1.0
|
C5'
|
P:DA10
|
4.2
|
14.6
|
1.0
|
CB
|
A:ASP190
|
4.3
|
15.5
|
1.0
|
OD1
|
A:ASP256
|
4.4
|
16.1
|
1.0
|
O
|
A:HOH585
|
4.5
|
25.2
|
1.0
|
O
|
A:MET191
|
4.5
|
12.7
|
1.0
|
OP1
|
P:DA10
|
4.6
|
14.7
|
1.0
|
CB
|
A:ASP192
|
4.6
|
12.8
|
1.0
|
C2'
|
P:DA10
|
4.7
|
13.7
|
1.0
|
O5'
|
P:DA10
|
4.8
|
15.2
|
1.0
|
C
|
A:MET191
|
4.9
|
13.2
|
1.0
|
NH2
|
A:ARG254
|
5.0
|
18.7
|
1.0
|
|
Calcium binding site 2 out
of 3 in 5vs2
Go back to
Calcium Binding Sites List in 5vs2
Calcium binding site 2 out
of 3 in the Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation
 Mono view
 Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
P:Ca102
b:37.4
occ:1.00
|
O
|
A:THR101
|
2.4
|
17.8
|
1.0
|
OP1
|
P:DC9
|
2.5
|
16.8
|
1.0
|
O
|
A:HOH609
|
2.5
|
14.6
|
1.0
|
O
|
A:VAL103
|
2.6
|
11.7
|
1.0
|
O
|
A:ILE106
|
2.7
|
13.3
|
1.0
|
C
|
A:VAL103
|
3.4
|
13.2
|
1.0
|
P
|
P:DC9
|
3.4
|
17.6
|
1.0
|
C
|
A:THR101
|
3.4
|
18.2
|
1.0
|
OP2
|
P:DC9
|
3.5
|
17.7
|
1.0
|
C
|
A:ILE106
|
3.7
|
14.1
|
1.0
|
CA
|
A:SER104
|
3.8
|
12.9
|
1.0
|
N
|
A:GLY105
|
3.8
|
14.2
|
1.0
|
N
|
A:ILE106
|
3.9
|
14.8
|
1.0
|
N
|
A:SER104
|
3.9
|
12.5
|
1.0
|
N
|
A:VAL103
|
4.1
|
14.6
|
1.0
|
CA
|
A:THR101
|
4.2
|
18.7
|
1.0
|
C
|
A:SER104
|
4.2
|
13.0
|
1.0
|
C
|
A:ARG102
|
4.2
|
15.8
|
1.0
|
O3'
|
P:DG8
|
4.3
|
17.8
|
1.0
|
CA
|
A:ILE106
|
4.3
|
14.1
|
1.0
|
CA
|
A:VAL103
|
4.4
|
14.0
|
1.0
|
N
|
A:ARG102
|
4.4
|
17.2
|
1.0
|
CA
|
A:ARG102
|
4.5
|
17.6
|
1.0
|
O
|
A:ARG102
|
4.6
|
16.6
|
1.0
|
CB
|
A:ILE106
|
4.6
|
14.7
|
1.0
|
O5'
|
P:DC9
|
4.6
|
16.7
|
1.0
|
N
|
A:GLY107
|
4.7
|
14.5
|
1.0
|
C
|
A:GLY105
|
4.7
|
14.8
|
1.0
|
CA
|
A:GLY105
|
4.8
|
15.1
|
1.0
|
CB
|
A:THR101
|
4.8
|
19.4
|
1.0
|
CA
|
A:GLY107
|
4.9
|
15.2
|
1.0
|
O
|
A:LEU100
|
5.0
|
15.9
|
1.0
|
|
Calcium binding site 3 out
of 3 in 5vs2
Go back to
Calcium Binding Sites List in 5vs2
Calcium binding site 3 out
of 3 in the Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation
 Mono view
 Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Human Dna Polymerase Beta Pre-Catalytic 8-Oxog:Da Extension Complex with Dttp Bound in Watson-Crick Conformation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca402
b:21.0
occ:1.00
|
OD2
|
A:ASP192
|
2.2
|
12.3
|
1.0
|
OD1
|
A:ASP190
|
2.3
|
14.7
|
1.0
|
O2A
|
A:TTP401
|
2.4
|
13.7
|
1.0
|
O2B
|
A:TTP401
|
2.4
|
16.0
|
1.0
|
O3G
|
A:TTP401
|
2.4
|
28.4
|
1.0
|
O
|
A:HOH511
|
2.5
|
9.9
|
1.0
|
O
|
A:ASP190
|
3.0
|
15.2
|
1.0
|
CG
|
A:ASP192
|
3.3
|
13.0
|
1.0
|
PB
|
A:TTP401
|
3.4
|
16.4
|
1.0
|
CG
|
A:ASP190
|
3.4
|
16.4
|
1.0
|
PA
|
A:TTP401
|
3.6
|
14.4
|
1.0
|
C
|
A:ASP190
|
3.6
|
15.1
|
1.0
|
PG
|
A:TTP401
|
3.6
|
33.7
|
1.0
|
OD1
|
A:ASP192
|
3.7
|
11.7
|
1.0
|
O3A
|
A:TTP401
|
3.8
|
15.9
|
1.0
|
CA
|
P:CA101
|
3.8
|
13.5
|
1.0
|
O3B
|
A:TTP401
|
3.9
|
20.9
|
1.0
|
N
|
A:ASP190
|
3.9
|
15.4
|
1.0
|
CA
|
A:ASP190
|
4.1
|
14.9
|
1.0
|
O
|
A:HOH585
|
4.3
|
25.2
|
1.0
|
O
|
A:HOH582
|
4.3
|
14.0
|
1.0
|
O1G
|
A:TTP401
|
4.3
|
24.2
|
1.0
|
OD2
|
A:ASP190
|
4.3
|
17.1
|
1.0
|
CB
|
A:ASP190
|
4.3
|
15.5
|
1.0
|
OG
|
A:SER180
|
4.4
|
18.6
|
1.0
|
N
|
A:MET191
|
4.5
|
15.2
|
1.0
|
N
|
A:SER180
|
4.6
|
15.3
|
1.0
|
C5'
|
A:TTP401
|
4.6
|
12.3
|
1.0
|
O5'
|
A:TTP401
|
4.6
|
12.7
|
1.0
|
CB
|
A:ASP192
|
4.6
|
12.8
|
1.0
|
CA
|
A:GLY179
|
4.6
|
15.3
|
1.0
|
O1A
|
A:TTP401
|
4.8
|
14.9
|
1.0
|
O1B
|
A:TTP401
|
4.8
|
15.2
|
1.0
|
N
|
A:ASP192
|
4.8
|
13.1
|
1.0
|
C
|
A:MET191
|
4.9
|
13.2
|
1.0
|
CA
|
A:MET191
|
4.9
|
14.5
|
1.0
|
O2G
|
A:TTP401
|
4.9
|
30.8
|
1.0
|
O
|
A:HOH532
|
4.9
|
16.0
|
1.0
|
C
|
A:GLY189
|
4.9
|
16.6
|
1.0
|
|
Reference:
A.J.Reed,
Z.Suo.
Time-Dependent Extension From An 8-Oxoguanine Lesion By Human Dna Polymerase Beta. J. Am. Chem. Soc. V. 139 9684 2017.
ISSN: ESSN 1520-5126
PubMed: 28682600
DOI: 10.1021/JACS.7B05048
Page generated: Mon Jul 15 12:35:57 2024
|