Manganese in PDB 5tb9: Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+.
Enzymatic activity of Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+.
All present enzymatic activity of Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+.:
2.7.7.7;
Protein crystallography data
The structure of Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+., PDB code: 5tb9
was solved by
R.Vyas,
Z.Suo,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
46.87 /
2.49
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
50.190,
82.310,
54.280,
90.00,
110.97,
90.00
|
R / Rfree (%)
|
20.5 /
26.7
|
Other elements in 5tb9:
The structure of Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+. also contains other interesting chemical elements:
Manganese Binding Sites:
The binding sites of Manganese atom in the Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+.
(pdb code 5tb9). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the
Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+., PDB code: 5tb9:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
Manganese binding site 1 out
of 6 in 5tb9
Go back to
Manganese Binding Sites List in 5tb9
Manganese binding site 1 out
of 6 in the Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn402
b:23.9
occ:1.00
|
OD2
|
A:ASP256
|
1.9
|
22.2
|
1.0
|
O
|
A:HOH501
|
1.9
|
29.3
|
1.0
|
OD2
|
A:ASP190
|
1.9
|
23.0
|
1.0
|
OAD
|
A:1RY401
|
2.0
|
24.5
|
1.0
|
OD1
|
A:ASP192
|
2.0
|
25.0
|
1.0
|
O3'
|
P:DC10
|
2.4
|
48.9
|
1.0
|
CG
|
A:ASP190
|
3.0
|
23.3
|
1.0
|
CG
|
A:ASP256
|
3.1
|
22.4
|
1.0
|
CG
|
A:ASP192
|
3.1
|
23.7
|
1.0
|
C3'
|
P:DC10
|
3.1
|
50.8
|
1.0
|
PBA
|
A:1RY401
|
3.1
|
25.4
|
1.0
|
OD1
|
A:ASP190
|
3.3
|
24.4
|
1.0
|
MN
|
A:MN403
|
3.4
|
24.7
|
1.0
|
OD2
|
A:ASP192
|
3.5
|
23.6
|
1.0
|
OAH
|
A:1RY401
|
3.7
|
26.1
|
1.0
|
OAO
|
A:1RY401
|
3.7
|
26.1
|
1.0
|
CB
|
A:ASP256
|
3.8
|
21.6
|
1.0
|
C4'
|
P:DC10
|
4.0
|
50.5
|
1.0
|
OD1
|
A:ASP256
|
4.0
|
23.5
|
1.0
|
CB
|
A:ASP190
|
4.3
|
22.2
|
1.0
|
CAL
|
A:1RY401
|
4.3
|
26.8
|
1.0
|
CB
|
A:ASP192
|
4.4
|
23.0
|
1.0
|
C2'
|
P:DC10
|
4.4
|
49.9
|
1.0
|
C5'
|
P:DC10
|
4.5
|
47.9
|
1.0
|
OAF
|
A:1RY401
|
4.6
|
26.2
|
1.0
|
OAR
|
A:1RY401
|
4.6
|
25.6
|
1.0
|
OXT
|
A:ACT411
|
4.8
|
36.3
|
1.0
|
SAS
|
A:1RY401
|
4.8
|
27.6
|
1.0
|
CA
|
A:ASP192
|
4.9
|
22.8
|
1.0
|
OAI
|
A:1RY401
|
5.0
|
24.0
|
1.0
|
|
Manganese binding site 2 out
of 6 in 5tb9
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Manganese Binding Sites List in 5tb9
Manganese binding site 2 out
of 6 in the Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn403
b:24.7
occ:1.00
|
OD1
|
A:ASP190
|
1.9
|
24.4
|
1.0
|
OAD
|
A:1RY401
|
1.9
|
24.5
|
1.0
|
OAI
|
A:1RY401
|
1.9
|
24.0
|
1.0
|
OAF
|
A:1RY401
|
1.9
|
26.2
|
1.0
|
OD2
|
A:ASP192
|
2.2
|
23.6
|
1.0
|
O
|
A:HOH509
|
2.2
|
13.0
|
1.0
|
PBA
|
A:1RY401
|
2.8
|
25.4
|
1.0
|
PBB
|
A:1RY401
|
2.9
|
24.6
|
1.0
|
CG
|
A:ASP190
|
2.9
|
23.3
|
1.0
|
OAR
|
A:1RY401
|
3.0
|
25.6
|
1.0
|
CG
|
A:ASP192
|
3.1
|
23.7
|
1.0
|
PAZ
|
A:1RY401
|
3.2
|
25.5
|
1.0
|
OD2
|
A:ASP190
|
3.3
|
23.0
|
1.0
|
OD1
|
A:ASP192
|
3.4
|
25.0
|
1.0
|
MN
|
A:MN402
|
3.4
|
23.9
|
1.0
|
OAQ
|
A:1RY401
|
3.4
|
24.9
|
1.0
|
OAO
|
A:1RY401
|
3.8
|
26.1
|
1.0
|
OAG
|
A:1RY401
|
3.9
|
25.9
|
1.0
|
CAL
|
A:1RY401
|
3.9
|
26.8
|
1.0
|
O
|
A:HOH501
|
3.9
|
29.3
|
1.0
|
OAH
|
A:1RY401
|
4.1
|
26.1
|
1.0
|
CB
|
A:ASP190
|
4.2
|
22.2
|
1.0
|
OXT
|
A:ACT411
|
4.2
|
36.3
|
1.0
|
OAE
|
A:1RY401
|
4.3
|
23.8
|
1.0
|
O
|
A:ASP190
|
4.3
|
20.0
|
1.0
|
N
|
A:ASP190
|
4.3
|
21.5
|
1.0
|
CA
|
A:GLY179
|
4.4
|
24.5
|
1.0
|
C
|
A:ASP190
|
4.4
|
21.8
|
1.0
|
OAC
|
A:1RY401
|
4.5
|
26.9
|
1.0
|
N
|
A:SER180
|
4.5
|
25.9
|
1.0
|
CB
|
A:ASP192
|
4.5
|
23.0
|
1.0
|
CA
|
A:ASP190
|
4.5
|
21.7
|
1.0
|
O
|
A:HOH517
|
4.5
|
16.4
|
1.0
|
OG
|
A:SER180
|
4.6
|
24.6
|
1.0
|
N
|
A:ASP192
|
4.9
|
23.1
|
1.0
|
O3'
|
P:DC10
|
5.0
|
48.9
|
1.0
|
|
Manganese binding site 3 out
of 6 in 5tb9
Go back to
Manganese Binding Sites List in 5tb9
Manganese binding site 3 out
of 6 in the Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn404
b:44.9
occ:1.00
|
O
|
A:HOH527
|
1.9
|
28.0
|
1.0
|
NE2
|
A:HIS339
|
2.3
|
39.5
|
1.0
|
O
|
A:HOH545
|
2.3
|
29.6
|
1.0
|
NE2
|
A:HIS337
|
2.4
|
33.1
|
1.0
|
O
|
A:HOH541
|
2.5
|
23.2
|
1.0
|
CE1
|
A:HIS339
|
2.9
|
38.8
|
1.0
|
CD2
|
A:HIS337
|
3.3
|
33.4
|
1.0
|
CE1
|
A:HIS337
|
3.4
|
33.3
|
1.0
|
CD2
|
A:HIS339
|
3.5
|
39.1
|
1.0
|
ND1
|
A:HIS339
|
4.1
|
38.9
|
1.0
|
CG
|
A:HIS339
|
4.4
|
37.6
|
1.0
|
CG
|
A:HIS337
|
4.5
|
33.0
|
1.0
|
ND1
|
A:HIS337
|
4.5
|
33.5
|
1.0
|
CG
|
A:GLU9
|
4.8
|
55.7
|
1.0
|
OE1
|
A:GLU9
|
5.0
|
57.2
|
1.0
|
OG1
|
A:THR10
|
5.0
|
35.0
|
1.0
|
|
Manganese binding site 4 out
of 6 in 5tb9
Go back to
Manganese Binding Sites List in 5tb9
Manganese binding site 4 out
of 6 in the Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn405
b:72.6
occ:1.00
|
O
|
A:HOH556
|
2.5
|
35.7
|
1.0
|
NE2
|
A:HIS340
|
2.9
|
41.5
|
1.0
|
CD2
|
A:HIS340
|
3.5
|
40.6
|
1.0
|
O
|
A:THR10
|
3.9
|
32.3
|
1.0
|
CE1
|
A:HIS340
|
4.0
|
41.4
|
1.0
|
O
|
A:HOH521
|
4.4
|
32.6
|
1.0
|
CG
|
A:HIS340
|
4.8
|
40.0
|
1.0
|
C
|
A:THR10
|
4.9
|
32.2
|
1.0
|
ND1
|
A:HIS340
|
5.0
|
41.0
|
1.0
|
|
Manganese binding site 5 out
of 6 in 5tb9
Go back to
Manganese Binding Sites List in 5tb9
Manganese binding site 5 out
of 6 in the Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn406
b:51.9
occ:1.00
|
O
|
A:GLU117
|
2.8
|
30.2
|
1.0
|
C
|
A:GLU117
|
3.5
|
29.9
|
1.0
|
CA
|
A:GLU117
|
3.9
|
29.9
|
1.0
|
N
|
A:GLY118
|
4.3
|
29.4
|
1.0
|
CB
|
A:GLU117
|
4.3
|
30.7
|
1.0
|
CA
|
A:GLY118
|
4.6
|
28.7
|
1.0
|
|
Manganese binding site 6 out
of 6 in 5tb9
Go back to
Manganese Binding Sites List in 5tb9
Manganese binding site 6 out
of 6 in the Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+.
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn407
b:32.4
occ:1.00
|
O
|
A:LYS48
|
2.1
|
28.8
|
1.0
|
O
|
A:HOH546
|
2.2
|
16.5
|
1.0
|
NE2
|
A:HIS338
|
2.4
|
29.5
|
1.0
|
NE2
|
A:HIS336
|
2.4
|
33.1
|
1.0
|
C
|
A:LYS48
|
3.1
|
29.9
|
1.0
|
CE1
|
A:HIS338
|
3.2
|
30.0
|
1.0
|
CD2
|
A:HIS336
|
3.3
|
33.4
|
1.0
|
CD2
|
A:HIS338
|
3.4
|
29.7
|
1.0
|
CE1
|
A:HIS336
|
3.5
|
33.3
|
1.0
|
CA
|
A:LYS48
|
3.6
|
31.5
|
1.0
|
CB
|
A:LYS48
|
3.8
|
33.4
|
1.0
|
N
|
A:TYR49
|
4.3
|
29.8
|
1.0
|
ND1
|
A:HIS338
|
4.4
|
29.6
|
1.0
|
CG
|
A:HIS336
|
4.5
|
33.8
|
1.0
|
CG
|
A:HIS338
|
4.5
|
30.3
|
1.0
|
ND1
|
A:HIS336
|
4.5
|
34.0
|
1.0
|
N
|
A:PRO50
|
4.7
|
31.6
|
1.0
|
C
|
A:TYR49
|
4.7
|
30.2
|
1.0
|
CG
|
A:LYS48
|
4.7
|
35.1
|
1.0
|
CA
|
A:TYR49
|
4.8
|
29.8
|
1.0
|
CD
|
A:PRO50
|
4.8
|
32.3
|
1.0
|
CB
|
A:PRO50
|
4.9
|
32.9
|
1.0
|
|
Reference:
A.J.Reed,
R.Vyas,
A.T.Raper,
Z.Suo.
Structural Insights Into the Post-Chemistry Steps of Nucleotide Incorporation Catalyzed By A Dna Polymerase. J. Am. Chem. Soc. V. 139 465 2017.
ISSN: ESSN 1520-5126
PubMed: 27959534
DOI: 10.1021/JACS.6B11258
Page generated: Sun Oct 6 02:56:12 2024
|