Calcium in PDB 4dtn: RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair
Enzymatic activity of RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair
All present enzymatic activity of RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair:
2.7.7.7;
Protein crystallography data
The structure of RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair, PDB code: 4dtn
was solved by
S.Xia,
J.Wang,
W.H.Konigsberg,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
38.19 /
1.96
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
78.275,
118.129,
130.222,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.4 /
21.6
|
Calcium Binding Sites:
The binding sites of Calcium atom in the RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair
(pdb code 4dtn). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the
RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair, PDB code: 4dtn:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
Calcium binding site 1 out
of 5 in 4dtn
Go back to
Calcium Binding Sites List in 4dtn
Calcium binding site 1 out
of 5 in the RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1002
b:22.1
occ:1.00
|
OD2
|
A:ASP623
|
2.2
|
25.3
|
1.0
|
O3G
|
A:DTP1001
|
2.2
|
22.8
|
1.0
|
O2B
|
A:DTP1001
|
2.3
|
20.1
|
1.0
|
O
|
A:LEU412
|
2.3
|
21.3
|
1.0
|
OD2
|
A:ASP411
|
2.4
|
31.0
|
1.0
|
O2A
|
A:DTP1001
|
2.4
|
21.9
|
1.0
|
OD1
|
A:ASP411
|
2.9
|
38.2
|
1.0
|
CG
|
A:ASP411
|
2.9
|
29.2
|
1.0
|
CG
|
A:ASP623
|
3.3
|
22.8
|
1.0
|
PB
|
A:DTP1001
|
3.4
|
20.4
|
1.0
|
C
|
A:LEU412
|
3.5
|
19.4
|
1.0
|
PG
|
A:DTP1001
|
3.6
|
21.6
|
1.0
|
PA
|
A:DTP1001
|
3.6
|
21.7
|
1.0
|
O3A
|
A:DTP1001
|
3.7
|
21.0
|
1.0
|
O
|
A:HOH1518
|
3.8
|
39.9
|
1.0
|
CA
|
A:CA1003
|
3.8
|
50.0
|
1.0
|
OD1
|
A:ASP623
|
3.8
|
22.4
|
1.0
|
O3B
|
A:DTP1001
|
3.9
|
22.2
|
1.0
|
N
|
A:LEU412
|
4.0
|
19.1
|
1.0
|
C5'
|
A:DTP1001
|
4.3
|
20.3
|
1.0
|
N
|
A:SER414
|
4.3
|
16.9
|
1.0
|
CA
|
A:LEU412
|
4.3
|
20.1
|
1.0
|
CB
|
A:ASP411
|
4.3
|
25.3
|
1.0
|
O2G
|
A:DTP1001
|
4.3
|
22.4
|
1.0
|
O5'
|
A:DTP1001
|
4.4
|
20.9
|
1.0
|
N
|
A:THR413
|
4.5
|
19.8
|
1.0
|
C
|
A:ASP411
|
4.5
|
18.0
|
1.0
|
CB
|
A:ASP623
|
4.5
|
21.6
|
1.0
|
C
|
A:THR413
|
4.7
|
18.5
|
1.0
|
CA
|
A:THR413
|
4.7
|
20.9
|
1.0
|
O
|
A:HOH1650
|
4.7
|
42.6
|
1.0
|
O1G
|
A:DTP1001
|
4.7
|
23.5
|
1.0
|
N
|
A:LEU415
|
4.7
|
14.1
|
1.0
|
O1B
|
A:DTP1001
|
4.8
|
20.3
|
1.0
|
O1A
|
A:DTP1001
|
4.9
|
21.3
|
1.0
|
CB
|
A:LEU412
|
4.9
|
18.6
|
1.0
|
CA
|
A:ASP411
|
4.9
|
20.7
|
1.0
|
|
Calcium binding site 2 out
of 5 in 4dtn
Go back to
Calcium Binding Sites List in 4dtn
Calcium binding site 2 out
of 5 in the RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1003
b:50.0
occ:1.00
|
O
|
A:HOH1346
|
2.2
|
36.3
|
1.0
|
OD1
|
A:ASP411
|
2.4
|
38.2
|
1.0
|
O2A
|
A:DTP1001
|
2.6
|
21.9
|
1.0
|
OD1
|
A:ASP623
|
2.6
|
22.4
|
1.0
|
O
|
A:HOH1572
|
3.4
|
44.3
|
1.0
|
CG
|
A:ASP411
|
3.5
|
29.2
|
1.0
|
CG
|
A:ASP623
|
3.5
|
22.8
|
1.0
|
OD2
|
A:ASP623
|
3.6
|
25.3
|
1.0
|
PA
|
A:DTP1001
|
3.7
|
21.7
|
1.0
|
C3'
|
P:DA115
|
3.7
|
23.6
|
1.0
|
CA
|
A:CA1002
|
3.8
|
22.1
|
1.0
|
CB
|
A:SER624
|
4.0
|
26.1
|
1.0
|
OD2
|
A:ASP411
|
4.0
|
31.0
|
1.0
|
O
|
A:HOH1518
|
4.1
|
39.9
|
1.0
|
O1A
|
A:DTP1001
|
4.2
|
21.3
|
1.0
|
O
|
P:HOH202
|
4.2
|
28.3
|
1.0
|
O5'
|
A:DTP1001
|
4.3
|
20.9
|
1.0
|
OG
|
A:SER624
|
4.4
|
29.7
|
1.0
|
CB
|
A:ASP411
|
4.6
|
25.3
|
1.0
|
C5'
|
A:DTP1001
|
4.6
|
20.3
|
1.0
|
O5'
|
P:DA115
|
4.7
|
25.4
|
1.0
|
O
|
A:ASP621
|
4.7
|
19.6
|
1.0
|
N
|
A:SER624
|
4.8
|
19.2
|
1.0
|
C4'
|
P:DA115
|
4.8
|
24.8
|
1.0
|
C2'
|
P:DA115
|
4.8
|
22.1
|
1.0
|
C
|
A:ASP623
|
4.9
|
20.5
|
1.0
|
C5'
|
P:DA115
|
4.9
|
27.3
|
1.0
|
CB
|
A:ASP623
|
4.9
|
21.6
|
1.0
|
CA
|
A:SER624
|
4.9
|
22.9
|
1.0
|
|
Calcium binding site 3 out
of 5 in 4dtn
Go back to
Calcium Binding Sites List in 4dtn
Calcium binding site 3 out
of 5 in the RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1004
b:48.8
occ:1.00
|
O
|
A:HOH1326
|
2.2
|
40.9
|
1.0
|
O
|
A:LYS531
|
2.2
|
46.1
|
1.0
|
O
|
A:ASN505
|
2.3
|
41.9
|
1.0
|
OD1
|
A:ASN507
|
2.4
|
45.4
|
1.0
|
O
|
A:HOH1104
|
2.5
|
35.5
|
1.0
|
O
|
A:HOH1492
|
2.5
|
42.2
|
1.0
|
O
|
A:HOH1377
|
2.7
|
42.5
|
1.0
|
C
|
A:LYS531
|
3.2
|
43.0
|
1.0
|
CG
|
A:ASN507
|
3.5
|
47.9
|
1.0
|
C
|
A:ASN505
|
3.6
|
44.6
|
1.0
|
CA
|
A:LYS531
|
3.9
|
43.2
|
1.0
|
ND2
|
A:ASN507
|
4.1
|
44.6
|
1.0
|
CB
|
A:ASN505
|
4.1
|
50.0
|
1.0
|
N
|
A:LYS532
|
4.2
|
42.1
|
1.0
|
N
|
A:ASN507
|
4.3
|
52.9
|
1.0
|
CA
|
A:LYS532
|
4.4
|
43.2
|
1.0
|
C
|
A:PRO506
|
4.5
|
52.4
|
1.0
|
CA
|
A:ASN505
|
4.5
|
49.0
|
1.0
|
CA
|
A:PRO506
|
4.5
|
48.3
|
1.0
|
N
|
A:PRO506
|
4.5
|
44.1
|
1.0
|
O
|
A:ALA502
|
4.5
|
39.7
|
1.0
|
CB
|
A:LYS531
|
4.6
|
46.0
|
1.0
|
CB
|
A:ASN507
|
4.7
|
48.1
|
1.0
|
O
|
A:LEU533
|
4.7
|
39.2
|
1.0
|
C
|
A:LYS532
|
4.9
|
46.0
|
1.0
|
O
|
A:ILE530
|
4.9
|
37.4
|
1.0
|
CA
|
A:ASN507
|
4.9
|
48.9
|
1.0
|
N
|
A:LEU533
|
5.0
|
41.8
|
1.0
|
|
Calcium binding site 4 out
of 5 in 4dtn
Go back to
Calcium Binding Sites List in 4dtn
Calcium binding site 4 out
of 5 in the RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1005
b:80.0
occ:1.00
|
O
|
A:HOH1650
|
2.4
|
42.6
|
1.0
|
O
|
A:HOH1676
|
2.4
|
40.9
|
1.0
|
O
|
A:HOH1470
|
2.5
|
32.7
|
1.0
|
OE1
|
A:GLU716
|
2.9
|
53.0
|
1.0
|
CD
|
A:GLU716
|
3.8
|
45.0
|
1.0
|
CG
|
A:GLU716
|
4.1
|
39.8
|
1.0
|
OD2
|
A:ASP411
|
4.2
|
31.0
|
1.0
|
O
|
A:ASP411
|
4.3
|
18.8
|
1.0
|
CB
|
A:ASP684
|
4.3
|
28.3
|
1.0
|
NZ
|
A:LYS486
|
4.4
|
33.0
|
1.0
|
OE1
|
A:GLU686
|
4.5
|
43.3
|
1.0
|
CB
|
A:ASP411
|
4.5
|
25.3
|
1.0
|
O
|
A:HOH1291
|
4.5
|
38.3
|
1.0
|
O
|
A:ASP684
|
4.5
|
21.2
|
1.0
|
O
|
A:ARG685
|
4.8
|
21.0
|
1.0
|
CG
|
A:ASP411
|
4.8
|
29.2
|
1.0
|
OE2
|
A:GLU716
|
4.8
|
50.6
|
1.0
|
OD2
|
A:ASP684
|
4.9
|
36.5
|
1.0
|
C
|
A:ASP411
|
5.0
|
18.0
|
1.0
|
OG1
|
A:THR413
|
5.0
|
25.7
|
1.0
|
|
Calcium binding site 5 out
of 5 in 4dtn
Go back to
Calcium Binding Sites List in 4dtn
Calcium binding site 5 out
of 5 in the RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of RB69 Dna Polymerase Ternary Complex with Datp Opposite An Abasic Site and Dda/Dt As the Penultimate Base-Pair within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1006
b:40.7
occ:1.00
|
O
|
A:HOH1399
|
2.4
|
39.2
|
1.0
|
OE1
|
A:GLU116
|
2.5
|
25.7
|
1.0
|
O
|
A:HOH1213
|
2.5
|
32.5
|
1.0
|
OE2
|
A:GLU116
|
2.7
|
25.9
|
1.0
|
CD
|
A:GLU116
|
3.0
|
26.7
|
1.0
|
O
|
A:HOH1477
|
4.1
|
31.4
|
1.0
|
OD2
|
A:ASP114
|
4.2
|
44.3
|
1.0
|
CG
|
A:GLU116
|
4.5
|
23.3
|
1.0
|
O
|
A:HOH1677
|
4.6
|
43.5
|
1.0
|
O
|
A:ILE115
|
4.6
|
20.3
|
1.0
|
|
Reference:
S.Xia,
A.Vashishtha,
D.Bulkley,
S.H.Eom,
J.Wang,
W.H.Konigsberg.
Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and Beyond Abasic Sites in Dna. Biochemistry V. 51 4922 2012.
ISSN: ISSN 0006-2960
PubMed: 22630605
DOI: 10.1021/BI300296Q
Page generated: Sat Jul 13 23:38:24 2024
|