Calcium in PDB 2w7o: Structure and Activity of Bypass Synthesis By Human Dna Polymerase Kappa Opposite the 7,8-Dihydro-8- Oxodeoxyguanosine Adduct
Enzymatic activity of Structure and Activity of Bypass Synthesis By Human Dna Polymerase Kappa Opposite the 7,8-Dihydro-8- Oxodeoxyguanosine Adduct
All present enzymatic activity of Structure and Activity of Bypass Synthesis By Human Dna Polymerase Kappa Opposite the 7,8-Dihydro-8- Oxodeoxyguanosine Adduct:
2.7.7.7;
Protein crystallography data
The structure of Structure and Activity of Bypass Synthesis By Human Dna Polymerase Kappa Opposite the 7,8-Dihydro-8- Oxodeoxyguanosine Adduct, PDB code: 2w7o
was solved by
A.Irimia,
M.Egli,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.41 /
3.16
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
165.482,
217.629,
117.957,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
24.1 /
27.8
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Structure and Activity of Bypass Synthesis By Human Dna Polymerase Kappa Opposite the 7,8-Dihydro-8- Oxodeoxyguanosine Adduct
(pdb code 2w7o). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
Structure and Activity of Bypass Synthesis By Human Dna Polymerase Kappa Opposite the 7,8-Dihydro-8- Oxodeoxyguanosine Adduct, PDB code: 2w7o:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 2w7o
Go back to
Calcium Binding Sites List in 2w7o
Calcium binding site 1 out
of 4 in the Structure and Activity of Bypass Synthesis By Human Dna Polymerase Kappa Opposite the 7,8-Dihydro-8- Oxodeoxyguanosine Adduct
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Structure and Activity of Bypass Synthesis By Human Dna Polymerase Kappa Opposite the 7,8-Dihydro-8- Oxodeoxyguanosine Adduct within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1521
b:60.5
occ:1.00
|
OD1
|
A:ASP325
|
2.5
|
90.9
|
1.0
|
O
|
A:HOH2003
|
2.8
|
56.0
|
1.0
|
CG
|
A:ASP325
|
3.1
|
88.9
|
1.0
|
O1B
|
A:DGT1520
|
3.2
|
94.1
|
1.0
|
OD2
|
A:ASP107
|
3.3
|
75.0
|
1.0
|
O1A
|
A:DGT1520
|
3.4
|
0.7
|
1.0
|
OD2
|
A:ASP325
|
3.5
|
91.2
|
1.0
|
NZ
|
A:LYS328
|
3.8
|
75.5
|
1.0
|
OG
|
A:SER324
|
3.8
|
81.5
|
1.0
|
CG
|
A:ASP107
|
4.1
|
71.7
|
1.0
|
CB
|
A:ASP325
|
4.2
|
83.6
|
1.0
|
PA
|
A:DGT1520
|
4.3
|
0.7
|
1.0
|
PB
|
A:DGT1520
|
4.5
|
92.5
|
1.0
|
OP1
|
P:DC13
|
4.5
|
69.2
|
1.0
|
O
|
A:LYS321
|
4.5
|
65.8
|
1.0
|
O3A
|
A:DGT1520
|
4.5
|
97.9
|
1.0
|
CE1
|
A:HIS105
|
4.6
|
60.4
|
1.0
|
CB
|
A:ASP107
|
4.6
|
68.8
|
1.0
|
O
|
A:HOH2009
|
4.8
|
53.9
|
1.0
|
OD1
|
A:ASP107
|
4.8
|
71.1
|
1.0
|
CE
|
A:LYS321
|
4.8
|
69.2
|
1.0
|
N
|
A:ASP325
|
4.9
|
77.9
|
1.0
|
CG
|
A:LYS321
|
5.0
|
66.8
|
1.0
|
CA
|
A:ASP325
|
5.0
|
78.8
|
1.0
|
|
Calcium binding site 2 out
of 4 in 2w7o
Go back to
Calcium Binding Sites List in 2w7o
Calcium binding site 2 out
of 4 in the Structure and Activity of Bypass Synthesis By Human Dna Polymerase Kappa Opposite the 7,8-Dihydro-8- Oxodeoxyguanosine Adduct
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Structure and Activity of Bypass Synthesis By Human Dna Polymerase Kappa Opposite the 7,8-Dihydro-8- Oxodeoxyguanosine Adduct within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1522
b:64.0
occ:1.00
|
O
|
A:MET108
|
2.6
|
65.1
|
1.0
|
O1G
|
A:DGT1520
|
2.7
|
87.4
|
1.0
|
O2B
|
A:DGT1520
|
2.8
|
92.7
|
1.0
|
OD1
|
A:ASP107
|
2.8
|
71.1
|
1.0
|
O
|
A:HOH2009
|
3.0
|
53.9
|
1.0
|
CG
|
A:ASP198
|
3.2
|
85.2
|
1.0
|
OD2
|
A:ASP198
|
3.2
|
86.8
|
1.0
|
PB
|
A:DGT1520
|
3.3
|
92.5
|
1.0
|
O3B
|
A:DGT1520
|
3.4
|
90.4
|
1.0
|
C
|
A:MET108
|
3.4
|
65.3
|
1.0
|
CB
|
A:ASP198
|
3.4
|
81.6
|
1.0
|
O1B
|
A:DGT1520
|
3.5
|
94.1
|
1.0
|
CG
|
A:ASP107
|
3.6
|
71.7
|
1.0
|
OD1
|
A:ASP198
|
3.7
|
85.8
|
1.0
|
OD2
|
A:ASP107
|
3.8
|
75.0
|
1.0
|
PG
|
A:DGT1520
|
3.9
|
87.1
|
1.0
|
N
|
A:MET108
|
4.0
|
66.0
|
1.0
|
CA
|
A:MET108
|
4.1
|
65.1
|
1.0
|
CB
|
A:MET108
|
4.2
|
66.3
|
1.0
|
N
|
A:ASP109
|
4.3
|
65.8
|
1.0
|
N
|
A:ALA110
|
4.4
|
66.3
|
1.0
|
C
|
A:ASP107
|
4.5
|
66.2
|
1.0
|
N
|
A:PHE111
|
4.5
|
65.6
|
1.0
|
CB
|
A:PHE111
|
4.5
|
61.7
|
1.0
|
CA
|
A:ASP109
|
4.6
|
66.0
|
1.0
|
O
|
A:ASP198
|
4.6
|
78.3
|
1.0
|
O3G
|
A:DGT1520
|
4.7
|
85.8
|
1.0
|
CA
|
A:ASP198
|
4.8
|
77.8
|
1.0
|
C
|
A:ASP109
|
4.8
|
66.4
|
1.0
|
O3A
|
A:DGT1520
|
4.9
|
97.9
|
1.0
|
O2G
|
A:DGT1520
|
4.9
|
87.0
|
1.0
|
CB
|
A:ASP107
|
4.9
|
68.8
|
1.0
|
C
|
A:ASP198
|
4.9
|
77.5
|
1.0
|
NZ
|
A:LYS328
|
5.0
|
75.5
|
1.0
|
O
|
A:ASP107
|
5.0
|
66.9
|
1.0
|
C4'
|
A:DGT1520
|
5.0
|
95.6
|
1.0
|
|
Calcium binding site 3 out
of 4 in 2w7o
Go back to
Calcium Binding Sites List in 2w7o
Calcium binding site 3 out
of 4 in the Structure and Activity of Bypass Synthesis By Human Dna Polymerase Kappa Opposite the 7,8-Dihydro-8- Oxodeoxyguanosine Adduct
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Structure and Activity of Bypass Synthesis By Human Dna Polymerase Kappa Opposite the 7,8-Dihydro-8- Oxodeoxyguanosine Adduct within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1521
b:0.3
occ:1.00
|
O1A
|
B:DGT1520
|
2.8
|
0.5
|
1.0
|
OD1
|
B:ASP325
|
2.9
|
0.7
|
1.0
|
OD2
|
B:ASP325
|
3.1
|
0.8
|
1.0
|
CG
|
B:ASP325
|
3.4
|
0.8
|
1.0
|
O1B
|
B:DGT1520
|
3.5
|
1.0
|
1.0
|
OP1
|
E:DC13
|
3.5
|
99.6
|
1.0
|
OE2
|
B:GLU199
|
3.5
|
95.9
|
0.5
|
NZ
|
B:LYS321
|
3.5
|
78.6
|
1.0
|
OD1
|
B:ASP107
|
3.8
|
0.2
|
1.0
|
CE1
|
B:HIS105
|
4.0
|
88.0
|
1.0
|
CG
|
B:ASP107
|
4.0
|
0.3
|
1.0
|
CE
|
B:LYS321
|
4.3
|
77.8
|
1.0
|
OD2
|
B:ASP107
|
4.4
|
0.6
|
1.0
|
PA
|
B:DGT1520
|
4.4
|
0.3
|
1.0
|
CB
|
B:ASP107
|
4.4
|
0.5
|
1.0
|
CD
|
B:GLU199
|
4.4
|
97.2
|
0.5
|
OG
|
B:SER324
|
4.6
|
92.0
|
1.0
|
O5'
|
B:DGT1520
|
4.6
|
0.6
|
1.0
|
P
|
E:DC13
|
4.7
|
100.0
|
1.0
|
CG
|
B:LYS321
|
4.7
|
77.2
|
1.0
|
C5'
|
B:DGT1520
|
4.7
|
0.8
|
1.0
|
O
|
B:LYS321
|
4.8
|
82.1
|
1.0
|
NE2
|
B:HIS105
|
4.8
|
86.6
|
1.0
|
O5'
|
E:DC13
|
4.8
|
0.8
|
1.0
|
OE1
|
B:GLU199
|
4.8
|
96.4
|
0.5
|
ND1
|
B:HIS105
|
4.8
|
87.3
|
1.0
|
CB
|
B:ASP325
|
4.8
|
0.1
|
1.0
|
PB
|
B:DGT1520
|
4.9
|
0.8
|
1.0
|
|
Calcium binding site 4 out
of 4 in 2w7o
Go back to
Calcium Binding Sites List in 2w7o
Calcium binding site 4 out
of 4 in the Structure and Activity of Bypass Synthesis By Human Dna Polymerase Kappa Opposite the 7,8-Dihydro-8- Oxodeoxyguanosine Adduct
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Structure and Activity of Bypass Synthesis By Human Dna Polymerase Kappa Opposite the 7,8-Dihydro-8- Oxodeoxyguanosine Adduct within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1522
b:95.9
occ:1.00
|
OD1
|
B:ASP198
|
2.7
|
0.1
|
1.0
|
O2B
|
B:DGT1520
|
2.7
|
0.8
|
1.0
|
O
|
B:MET108
|
2.8
|
0.8
|
1.0
|
OD1
|
B:ASP107
|
2.9
|
0.2
|
1.0
|
OD2
|
B:ASP198
|
2.9
|
0.8
|
1.0
|
OD2
|
B:ASP107
|
3.0
|
0.6
|
1.0
|
CG
|
B:ASP107
|
3.0
|
0.3
|
1.0
|
CG
|
B:ASP198
|
3.0
|
0.6
|
1.0
|
O1G
|
B:DGT1520
|
3.1
|
0.8
|
1.0
|
C
|
B:MET108
|
3.3
|
0.5
|
1.0
|
O
|
B:ASP107
|
3.4
|
0.7
|
1.0
|
C
|
B:ASP107
|
3.4
|
0.3
|
1.0
|
PB
|
B:DGT1520
|
3.5
|
0.8
|
1.0
|
O1B
|
B:DGT1520
|
3.7
|
1.0
|
1.0
|
O
|
B:ASP198
|
3.7
|
0.2
|
1.0
|
N
|
B:MET108
|
3.7
|
0.3
|
1.0
|
CA
|
B:ASP107
|
4.0
|
0.7
|
1.0
|
O3B
|
B:DGT1520
|
4.0
|
0.7
|
1.0
|
N
|
B:ASP109
|
4.0
|
0.2
|
1.0
|
CA
|
B:MET108
|
4.1
|
0.8
|
1.0
|
CB
|
B:ASP107
|
4.1
|
0.5
|
1.0
|
PG
|
B:DGT1520
|
4.2
|
0.7
|
1.0
|
C
|
B:ASP109
|
4.3
|
0.9
|
1.0
|
CA
|
B:ASP109
|
4.3
|
0.8
|
1.0
|
CB
|
B:ASP198
|
4.3
|
0.6
|
1.0
|
N
|
B:ALA110
|
4.3
|
0.8
|
1.0
|
O
|
B:ALA110
|
4.4
|
0.6
|
1.0
|
O3G
|
B:DGT1520
|
4.4
|
0.3
|
1.0
|
C
|
B:ASP198
|
4.5
|
0.0
|
1.0
|
CB
|
B:PHE111
|
4.5
|
0.6
|
1.0
|
CA
|
B:ASP198
|
4.5
|
0.3
|
1.0
|
C
|
B:ALA110
|
4.6
|
0.1
|
1.0
|
O
|
B:ASP109
|
4.8
|
0.4
|
1.0
|
NZ
|
B:LYS328
|
4.9
|
87.5
|
0.5
|
CB
|
B:MET108
|
4.9
|
0.2
|
1.0
|
|
Reference:
A.Irimia,
R.L.Eoff,
F.P.Guengerich,
M.Egli.
Structural and Functional Elucidation of the Mechanism Promoting Error-Prone Synthesis By Human Dna Polymerase Kappa Opposite the 7,8-Dihydro-8- Oxo-2'-Deoxyguanosine Adduct. J.Biol.Chem. V. 284 22467 2009.
ISSN: ISSN 0021-9258
PubMed: 19542228
DOI: 10.1074/JBC.M109.003905
Page generated: Fri Jul 12 18:32:22 2024
|