Manganese in PDB 1gx6: Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese
Enzymatic activity of Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese
All present enzymatic activity of Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese:
2.7.7.48;
Protein crystallography data
The structure of Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese, PDB code: 1gx6
was solved by
S.Bressanelli,
F.A.Rey,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
25 /
1.85
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
67.092,
96.632,
96.340,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
19.7 /
22.9
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese
(pdb code 1gx6). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 5 binding sites of Manganese where determined in the
Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese, PDB code: 1gx6:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
Manganese binding site 1 out
of 5 in 1gx6
Go back to
Manganese Binding Sites List in 1gx6
Manganese binding site 1 out
of 5 in the Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn3001
b:31.0
occ:1.00
|
O3G
|
A:UTP1001
|
2.1
|
28.5
|
0.8
|
OD1
|
A:ASP220
|
2.1
|
27.5
|
1.0
|
OD2
|
A:ASP318
|
2.2
|
30.3
|
1.0
|
O
|
A:HOH2484
|
2.2
|
36.8
|
1.0
|
O1B
|
A:UTP1001
|
2.3
|
39.2
|
0.8
|
O
|
A:THR221
|
2.3
|
27.5
|
1.0
|
CG
|
A:ASP220
|
3.1
|
27.8
|
1.0
|
CG
|
A:ASP318
|
3.2
|
26.7
|
1.0
|
PB
|
A:UTP1001
|
3.3
|
39.0
|
0.8
|
PG
|
A:UTP1001
|
3.3
|
39.0
|
0.8
|
OD2
|
A:ASP220
|
3.4
|
26.4
|
1.0
|
C
|
A:THR221
|
3.4
|
21.4
|
1.0
|
O3B
|
A:UTP1001
|
3.6
|
42.2
|
0.8
|
MN
|
A:MN3002
|
3.6
|
30.1
|
1.0
|
OD1
|
A:ASP318
|
3.7
|
28.8
|
1.0
|
N
|
A:THR221
|
3.8
|
25.2
|
1.0
|
O
|
A:HOH2265
|
3.9
|
40.8
|
1.0
|
O2B
|
A:UTP1001
|
3.9
|
35.4
|
0.8
|
O2G
|
A:UTP1001
|
4.1
|
36.3
|
0.8
|
CA
|
A:THR221
|
4.1
|
27.3
|
1.0
|
O
|
A:HOH2480
|
4.2
|
47.7
|
1.0
|
N
|
A:PHE224
|
4.3
|
20.9
|
1.0
|
C
|
A:ASP220
|
4.4
|
26.3
|
1.0
|
CB
|
A:ASP220
|
4.4
|
20.5
|
1.0
|
N
|
A:CYS223
|
4.4
|
24.1
|
1.0
|
O1G
|
A:UTP1001
|
4.5
|
42.5
|
0.8
|
CB
|
A:ASP318
|
4.5
|
31.5
|
1.0
|
N
|
A:ARG222
|
4.5
|
26.7
|
1.0
|
CB
|
A:PHE224
|
4.5
|
21.5
|
1.0
|
CA
|
A:ARG222
|
4.7
|
29.7
|
1.0
|
CB
|
A:THR221
|
4.7
|
21.7
|
1.0
|
O3A
|
A:UTP1001
|
4.7
|
45.9
|
0.8
|
C
|
A:ARG222
|
4.8
|
23.9
|
1.0
|
CA
|
A:ASP220
|
4.8
|
21.5
|
1.0
|
O
|
A:HOH2485
|
4.8
|
36.5
|
1.0
|
O1B
|
A:UTP1003
|
4.9
|
74.8
|
0.8
|
O2A
|
A:UTP1001
|
4.9
|
43.6
|
0.8
|
|
Manganese binding site 2 out
of 5 in 1gx6
Go back to
Manganese Binding Sites List in 1gx6
Manganese binding site 2 out
of 5 in the Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn3002
b:30.1
occ:1.00
|
O2A
|
A:UTP1001
|
2.0
|
43.6
|
0.8
|
OD1
|
A:ASP318
|
2.1
|
28.8
|
1.0
|
OD1
|
A:ASP319
|
2.2
|
23.3
|
1.0
|
OD2
|
A:ASP220
|
2.2
|
26.4
|
1.0
|
O1B
|
A:UTP1001
|
2.3
|
39.2
|
0.8
|
O
|
A:HOH2485
|
2.4
|
36.5
|
1.0
|
CG
|
A:ASP318
|
3.0
|
26.7
|
1.0
|
CG
|
A:ASP319
|
3.0
|
28.5
|
1.0
|
PA
|
A:UTP1001
|
3.2
|
53.4
|
0.8
|
OD2
|
A:ASP318
|
3.3
|
30.3
|
1.0
|
CG
|
A:ASP220
|
3.3
|
27.8
|
1.0
|
OD2
|
A:ASP319
|
3.3
|
33.9
|
1.0
|
PB
|
A:UTP1001
|
3.4
|
39.0
|
0.8
|
O3A
|
A:UTP1001
|
3.6
|
45.9
|
0.8
|
MN
|
A:MN3001
|
3.6
|
31.0
|
1.0
|
O
|
A:HOH2333
|
3.7
|
45.9
|
1.0
|
OD1
|
A:ASP220
|
3.7
|
27.5
|
1.0
|
O1A
|
A:UTP1001
|
4.0
|
51.2
|
0.8
|
N
|
A:ASP319
|
4.2
|
22.5
|
1.0
|
C
|
A:ASP318
|
4.3
|
23.5
|
1.0
|
CB
|
A:ASP319
|
4.3
|
27.6
|
1.0
|
O2B
|
A:UTP1001
|
4.3
|
35.4
|
0.8
|
CB
|
A:ASP318
|
4.4
|
31.5
|
1.0
|
O3B
|
A:UTP1001
|
4.4
|
42.2
|
0.8
|
O
|
A:HOH2332
|
4.5
|
31.0
|
1.0
|
O5'
|
A:UTP1001
|
4.5
|
49.9
|
0.8
|
CA
|
A:ASP319
|
4.5
|
22.1
|
1.0
|
O
|
A:ASP318
|
4.6
|
29.0
|
1.0
|
CB
|
A:ASP220
|
4.6
|
20.5
|
1.0
|
CA
|
A:ASP318
|
4.8
|
24.1
|
1.0
|
C5'
|
A:UTP1001
|
4.8
|
53.0
|
0.8
|
O3G
|
A:UTP1001
|
4.8
|
28.5
|
0.8
|
O
|
A:HOH2484
|
4.9
|
36.8
|
1.0
|
N
|
A:ASP318
|
4.9
|
26.1
|
1.0
|
O
|
A:HOH2394
|
4.9
|
55.5
|
1.0
|
|
Manganese binding site 3 out
of 5 in 1gx6
Go back to
Manganese Binding Sites List in 1gx6
Manganese binding site 3 out
of 5 in the Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn3003
b:66.1
occ:0.66
|
O5'
|
A:UTP1002
|
2.3
|
61.6
|
0.7
|
O1A
|
A:UTP1001
|
2.4
|
51.2
|
0.8
|
O1B
|
A:UTP1002
|
2.5
|
66.2
|
0.7
|
MN
|
A:MN3004
|
2.6
|
64.6
|
0.5
|
O
|
A:HOH2394
|
2.8
|
55.5
|
1.0
|
O
|
A:HOH2482
|
3.1
|
61.5
|
1.0
|
PA
|
A:UTP1002
|
3.4
|
65.2
|
0.7
|
O2A
|
A:UTP1002
|
3.5
|
63.8
|
0.7
|
PB
|
A:UTP1002
|
3.6
|
65.8
|
0.7
|
O3A
|
A:UTP1002
|
3.8
|
64.5
|
0.7
|
PA
|
A:UTP1001
|
3.8
|
53.4
|
0.8
|
OG
|
A:SER367
|
3.8
|
35.7
|
1.0
|
NH2
|
A:ARG158
|
4.3
|
76.0
|
1.0
|
O2B
|
A:UTP1002
|
4.3
|
67.0
|
0.7
|
O
|
A:HOH2485
|
4.4
|
36.5
|
1.0
|
O3A
|
A:UTP1001
|
4.5
|
45.9
|
0.8
|
O5'
|
A:UTP1001
|
4.6
|
49.9
|
0.8
|
O1A
|
A:UTP1002
|
4.7
|
59.4
|
0.7
|
O3G
|
A:UTP1002
|
4.8
|
72.9
|
0.7
|
O3B
|
A:UTP1002
|
4.9
|
68.5
|
0.7
|
O2A
|
A:UTP1001
|
4.9
|
43.6
|
0.8
|
CB
|
A:SER367
|
5.0
|
29.4
|
1.0
|
CZ
|
A:ARG158
|
5.0
|
76.2
|
1.0
|
|
Manganese binding site 4 out
of 5 in 1gx6
Go back to
Manganese Binding Sites List in 1gx6
Manganese binding site 4 out
of 5 in the Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn3004
b:64.6
occ:0.53
|
O1B
|
A:UTP1002
|
2.5
|
66.2
|
0.7
|
MN
|
A:MN3003
|
2.6
|
66.1
|
0.7
|
O5'
|
A:UTP1002
|
2.9
|
61.6
|
0.7
|
O3G
|
A:UTP1002
|
3.2
|
72.9
|
0.7
|
NH2
|
A:ARG158
|
3.3
|
76.0
|
1.0
|
O1A
|
A:UTP1003
|
3.6
|
71.6
|
0.8
|
O1G
|
A:UTP1002
|
3.6
|
72.6
|
0.7
|
PB
|
A:UTP1002
|
3.6
|
65.8
|
0.7
|
O2A
|
A:UTP1003
|
3.7
|
71.0
|
0.8
|
PG
|
A:UTP1002
|
3.8
|
73.6
|
0.7
|
O3A
|
A:UTP1002
|
3.9
|
64.5
|
0.7
|
OG
|
A:SER367
|
4.0
|
35.7
|
1.0
|
O
|
A:HOH2394
|
4.0
|
55.5
|
1.0
|
O1A
|
A:UTP1001
|
4.0
|
51.2
|
0.8
|
O3B
|
A:UTP1002
|
4.1
|
68.5
|
0.7
|
PA
|
A:UTP1003
|
4.1
|
76.2
|
0.8
|
PA
|
A:UTP1002
|
4.2
|
65.2
|
0.7
|
MN
|
A:MN3005
|
4.3
|
82.4
|
0.6
|
CZ
|
A:ARG158
|
4.5
|
76.2
|
1.0
|
O
|
A:HOH2485
|
4.6
|
36.5
|
1.0
|
O2B
|
A:UTP1001
|
4.8
|
35.4
|
0.8
|
O2B
|
A:UTP1002
|
4.9
|
67.0
|
0.7
|
|
Manganese binding site 5 out
of 5 in 1gx6
Go back to
Manganese Binding Sites List in 1gx6
Manganese binding site 5 out
of 5 in the Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Hepatitis C Virus Rna Polymerase in Complex with Utp and Manganese within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn3005
b:82.4
occ:0.62
|
O1B
|
A:UTP1003
|
1.9
|
74.8
|
0.8
|
O2B
|
A:UTP1001
|
2.3
|
35.4
|
0.8
|
O2A
|
A:UTP1003
|
2.6
|
71.0
|
0.8
|
O1G
|
A:UTP1003
|
2.6
|
76.7
|
0.8
|
PB
|
A:UTP1003
|
2.8
|
77.4
|
0.8
|
PA
|
A:UTP1003
|
3.1
|
76.2
|
0.8
|
O3A
|
A:UTP1003
|
3.1
|
74.0
|
0.8
|
O3B
|
A:UTP1003
|
3.3
|
75.7
|
0.8
|
O
|
A:HOH2484
|
3.4
|
36.8
|
1.0
|
O1A
|
A:UTP1003
|
3.5
|
71.6
|
0.8
|
PG
|
A:UTP1003
|
3.5
|
77.8
|
0.8
|
PB
|
A:UTP1001
|
3.7
|
39.0
|
0.8
|
O
|
A:HOH2477
|
3.7
|
50.8
|
1.0
|
O
|
A:HOH2480
|
4.1
|
47.7
|
1.0
|
O2B
|
A:UTP1003
|
4.2
|
74.4
|
0.8
|
O1B
|
A:UTP1001
|
4.3
|
39.2
|
0.8
|
NH2
|
A:ARG158
|
4.3
|
76.0
|
1.0
|
MN
|
A:MN3004
|
4.3
|
64.6
|
0.5
|
O3A
|
A:UTP1001
|
4.5
|
45.9
|
0.8
|
O3G
|
A:UTP1003
|
4.5
|
77.2
|
0.8
|
O2G
|
A:UTP1003
|
4.6
|
77.8
|
0.8
|
O2G
|
A:UTP1001
|
4.6
|
36.3
|
0.8
|
O5'
|
A:UTP1003
|
4.6
|
73.5
|
0.8
|
O3B
|
A:UTP1001
|
4.6
|
42.2
|
0.8
|
O
|
A:HOH2485
|
4.8
|
36.5
|
1.0
|
|
Reference:
S.Bressanelli,
L.Tomei,
F.A.Rey,
R.De Francesco.
A Structural Analysis of the Hepatitis C Virus Rna Polymerase in Complex with Ribonucleotides J.Virol. V. 76 3482 2002.
ISSN: ISSN 0022-538X
PubMed: 11884572
DOI: 10.1128/JVI.76.7.3482-3492.2002
Page generated: Sat Oct 5 10:49:07 2024
|