Mercury in PDB 1pfr: Ribonucleoside-Diphosphate Reductase 1 Beta Chain
Enzymatic activity of Ribonucleoside-Diphosphate Reductase 1 Beta Chain
All present enzymatic activity of Ribonucleoside-Diphosphate Reductase 1 Beta Chain:
1.17.4.1;
Protein crystallography data
The structure of Ribonucleoside-Diphosphate Reductase 1 Beta Chain, PDB code: 1pfr
was solved by
D.T.Logan,
X.D.Su,
A.Aberg,
K.Regnstrom,
J.Hajdu,
H.Eklund,
P.Nordlund,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
15.00 /
2.20
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
74.300,
85.500,
115.700,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.9 /
n/a
|
Other elements in 1pfr:
The structure of Ribonucleoside-Diphosphate Reductase 1 Beta Chain also contains other interesting chemical elements:
Mercury Binding Sites:
The binding sites of Mercury atom in the Ribonucleoside-Diphosphate Reductase 1 Beta Chain
(pdb code 1pfr). This binding sites where shown within
5.0 Angstroms radius around Mercury atom.
In total 8 binding sites of Mercury where determined in the
Ribonucleoside-Diphosphate Reductase 1 Beta Chain, PDB code: 1pfr:
Jump to Mercury binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Mercury binding site 1 out
of 8 in 1pfr
Go back to
Mercury Binding Sites List in 1pfr
Mercury binding site 1 out
of 8 in the Ribonucleoside-Diphosphate Reductase 1 Beta Chain
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 1 of Ribonucleoside-Diphosphate Reductase 1 Beta Chain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg601
b:33.4
occ:1.00
|
SG
|
A:CYS196
|
2.2
|
14.9
|
1.0
|
O
|
A:HOH612
|
2.7
|
17.6
|
1.0
|
HG
|
A:HG603
|
3.1
|
31.8
|
0.3
|
O
|
A:CYS196
|
3.1
|
13.2
|
1.0
|
CA
|
A:CYS196
|
3.4
|
10.5
|
1.0
|
CB
|
A:CYS196
|
3.5
|
11.1
|
1.0
|
CB
|
A:TYR156
|
3.5
|
25.8
|
1.0
|
C
|
A:CYS196
|
3.5
|
13.6
|
1.0
|
CG2
|
A:VAL200
|
3.6
|
16.3
|
1.0
|
CE1
|
A:TYR157
|
3.6
|
16.1
|
1.0
|
CD1
|
A:TYR157
|
3.6
|
16.2
|
1.0
|
CZ
|
A:TYR157
|
3.7
|
22.6
|
1.0
|
CG
|
A:TYR157
|
3.8
|
15.1
|
1.0
|
CE2
|
A:TYR157
|
3.9
|
15.5
|
1.0
|
CD2
|
A:TYR157
|
3.9
|
15.2
|
1.0
|
N
|
A:TYR157
|
4.0
|
17.0
|
1.0
|
CB
|
A:SER199
|
4.3
|
15.1
|
1.0
|
C
|
A:TYR156
|
4.3
|
23.1
|
1.0
|
OH
|
A:TYR157
|
4.4
|
24.0
|
1.0
|
CG
|
A:TYR156
|
4.4
|
30.3
|
1.0
|
CA
|
A:TYR157
|
4.5
|
15.8
|
1.0
|
N
|
A:VAL200
|
4.5
|
12.8
|
1.0
|
CA
|
A:TYR156
|
4.5
|
22.9
|
1.0
|
N
|
A:LEU197
|
4.6
|
11.9
|
1.0
|
CB
|
A:TYR157
|
4.7
|
15.8
|
1.0
|
O
|
A:ILE153
|
4.8
|
27.1
|
1.0
|
O
|
A:TYR156
|
4.8
|
22.8
|
1.0
|
N
|
A:CYS196
|
4.8
|
11.2
|
1.0
|
CB
|
A:VAL200
|
4.9
|
16.3
|
1.0
|
|
Mercury binding site 2 out
of 8 in 1pfr
Go back to
Mercury Binding Sites List in 1pfr
Mercury binding site 2 out
of 8 in the Ribonucleoside-Diphosphate Reductase 1 Beta Chain
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 2 of Ribonucleoside-Diphosphate Reductase 1 Beta Chain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg602
b:37.1
occ:1.00
|
O
|
A:HOH667
|
2.3
|
38.2
|
1.0
|
SG
|
A:CYS272
|
2.5
|
25.2
|
1.0
|
OH
|
A:TYR194
|
3.0
|
17.6
|
1.0
|
CB
|
A:CYS272
|
3.4
|
20.1
|
1.0
|
O
|
A:ALA265
|
3.5
|
25.5
|
1.0
|
CE
|
A:MET198
|
3.6
|
15.9
|
1.0
|
CE2
|
A:TYR194
|
3.7
|
16.0
|
1.0
|
CZ
|
A:TYR194
|
3.8
|
19.2
|
1.0
|
CA
|
A:LYS269
|
3.8
|
18.4
|
1.0
|
CD2
|
A:LEU321
|
3.9
|
21.7
|
1.0
|
CG
|
A:LYS269
|
4.2
|
31.5
|
1.0
|
N
|
A:LYS269
|
4.3
|
18.6
|
1.0
|
CB
|
A:LYS269
|
4.3
|
20.4
|
1.0
|
C
|
A:ALA265
|
4.3
|
26.1
|
1.0
|
CA
|
A:ALA265
|
4.6
|
21.1
|
1.0
|
O
|
A:LYS269
|
4.6
|
24.4
|
1.0
|
CB
|
A:ALA265
|
4.7
|
21.5
|
1.0
|
O
|
A:HOH661
|
4.7
|
25.1
|
1.0
|
C
|
A:CYS268
|
4.8
|
25.7
|
1.0
|
C
|
A:LYS269
|
4.8
|
23.9
|
1.0
|
CA
|
A:CYS272
|
4.8
|
18.9
|
1.0
|
O
|
A:CYS268
|
4.9
|
26.1
|
1.0
|
|
Mercury binding site 3 out
of 8 in 1pfr
Go back to
Mercury Binding Sites List in 1pfr
Mercury binding site 3 out
of 8 in the Ribonucleoside-Diphosphate Reductase 1 Beta Chain
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 3 of Ribonucleoside-Diphosphate Reductase 1 Beta Chain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg603
b:31.8
occ:0.35
|
SG
|
A:CYS196
|
2.1
|
14.9
|
1.0
|
CG2
|
A:VAL200
|
3.1
|
16.3
|
1.0
|
HG
|
A:HG601
|
3.1
|
33.4
|
1.0
|
CB
|
A:CYS196
|
3.2
|
11.1
|
1.0
|
CE1
|
A:TYR157
|
3.3
|
16.1
|
1.0
|
C
|
A:CYS196
|
3.4
|
13.6
|
1.0
|
O
|
A:CYS196
|
3.5
|
13.2
|
1.0
|
N
|
A:LEU197
|
3.7
|
11.9
|
1.0
|
CD2
|
A:LEU95
|
3.7
|
23.1
|
1.0
|
CA
|
A:CYS196
|
3.9
|
10.5
|
1.0
|
CD1
|
A:TYR157
|
3.9
|
16.2
|
1.0
|
CZ
|
A:TYR157
|
4.0
|
22.6
|
1.0
|
CA
|
A:LEU197
|
4.1
|
12.8
|
1.0
|
CD1
|
A:LEU197
|
4.2
|
21.5
|
1.0
|
OH
|
A:TYR157
|
4.2
|
24.0
|
1.0
|
CB
|
A:VAL200
|
4.4
|
16.3
|
1.0
|
CG
|
A:LEU95
|
4.6
|
20.3
|
1.0
|
CD1
|
A:LEU95
|
4.8
|
20.0
|
1.0
|
CD2
|
A:LEU160
|
4.8
|
16.7
|
1.0
|
CG
|
A:TYR157
|
5.0
|
15.1
|
1.0
|
|
Mercury binding site 4 out
of 8 in 1pfr
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Mercury Binding Sites List in 1pfr
Mercury binding site 4 out
of 8 in the Ribonucleoside-Diphosphate Reductase 1 Beta Chain
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 4 of Ribonucleoside-Diphosphate Reductase 1 Beta Chain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg604
b:38.5
occ:0.10
|
SG
|
A:CYS268
|
2.2
|
33.0
|
1.0
|
O
|
A:HOH695
|
2.8
|
49.6
|
1.0
|
CB
|
A:CYS268
|
3.3
|
28.1
|
1.0
|
CA
|
A:CYS268
|
3.6
|
26.5
|
1.0
|
CD
|
A:LYS191
|
3.7
|
44.1
|
1.0
|
CG
|
A:LYS191
|
4.1
|
37.2
|
1.0
|
CG
|
A:GLU271
|
4.1
|
39.5
|
1.0
|
N
|
A:CYS268
|
4.2
|
26.3
|
1.0
|
O
|
A:GLU267
|
4.2
|
30.0
|
1.0
|
OE2
|
A:GLU271
|
4.3
|
80.2
|
1.0
|
CD2
|
A:LEU195
|
4.3
|
24.1
|
1.0
|
CD
|
A:GLU271
|
4.4
|
76.5
|
1.0
|
C
|
A:GLU267
|
4.5
|
30.3
|
1.0
|
CE
|
A:LYS191
|
4.6
|
54.4
|
1.0
|
CB
|
A:LYS191
|
4.8
|
18.9
|
1.0
|
C
|
A:CYS268
|
4.8
|
25.7
|
1.0
|
CD1
|
A:LEU195
|
5.0
|
19.1
|
1.0
|
|
Mercury binding site 5 out
of 8 in 1pfr
Go back to
Mercury Binding Sites List in 1pfr
Mercury binding site 5 out
of 8 in the Ribonucleoside-Diphosphate Reductase 1 Beta Chain
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 5 of Ribonucleoside-Diphosphate Reductase 1 Beta Chain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Hg605
b:38.9
occ:0.90
|
SG
|
B:CYS196
|
2.3
|
17.9
|
1.0
|
O
|
B:HOH617
|
2.4
|
18.8
|
1.0
|
HG
|
B:HG606
|
3.0
|
25.7
|
0.5
|
O
|
B:CYS196
|
3.1
|
10.7
|
1.0
|
CB
|
B:CYS196
|
3.2
|
13.4
|
1.0
|
CA
|
B:CYS196
|
3.4
|
12.3
|
1.0
|
CG2
|
B:VAL200
|
3.4
|
18.2
|
1.0
|
CD1
|
B:TYR157
|
3.4
|
11.3
|
1.0
|
C
|
B:CYS196
|
3.5
|
13.8
|
1.0
|
CG
|
B:TYR157
|
3.5
|
9.7
|
1.0
|
CE1
|
B:TYR157
|
3.6
|
12.8
|
1.0
|
CB
|
B:TYR156
|
3.6
|
20.2
|
1.0
|
CD2
|
B:TYR157
|
3.7
|
10.5
|
1.0
|
CZ
|
B:TYR157
|
3.8
|
15.1
|
1.0
|
N
|
B:TYR157
|
3.8
|
14.2
|
1.0
|
CE2
|
B:TYR157
|
3.8
|
9.9
|
1.0
|
C
|
B:TYR156
|
4.1
|
19.4
|
1.0
|
CA
|
B:TYR157
|
4.2
|
12.5
|
1.0
|
CB
|
B:TYR157
|
4.3
|
10.7
|
1.0
|
CB
|
B:SER199
|
4.4
|
18.3
|
1.0
|
O
|
B:ILE153
|
4.5
|
24.3
|
1.0
|
CA
|
B:TYR156
|
4.5
|
17.6
|
1.0
|
N
|
B:VAL200
|
4.6
|
13.8
|
1.0
|
OH
|
B:TYR157
|
4.6
|
16.0
|
1.0
|
O
|
B:TYR156
|
4.6
|
19.6
|
1.0
|
N
|
B:LEU197
|
4.7
|
13.0
|
1.0
|
CG
|
B:TYR156
|
4.7
|
23.8
|
1.0
|
CB
|
B:VAL200
|
4.8
|
18.1
|
1.0
|
N
|
B:CYS196
|
4.8
|
13.1
|
1.0
|
|
Mercury binding site 6 out
of 8 in 1pfr
Go back to
Mercury Binding Sites List in 1pfr
Mercury binding site 6 out
of 8 in the Ribonucleoside-Diphosphate Reductase 1 Beta Chain
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 6 of Ribonucleoside-Diphosphate Reductase 1 Beta Chain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Hg606
b:25.7
occ:0.50
|
SG
|
B:CYS196
|
1.8
|
17.9
|
1.0
|
CE1
|
B:TYR157
|
3.0
|
12.8
|
1.0
|
HG
|
B:HG605
|
3.0
|
38.9
|
0.9
|
CG2
|
B:VAL200
|
3.1
|
18.2
|
1.0
|
CB
|
B:CYS196
|
3.4
|
13.4
|
1.0
|
C
|
B:CYS196
|
3.4
|
13.8
|
1.0
|
O
|
B:CYS196
|
3.4
|
10.7
|
1.0
|
CD1
|
B:TYR157
|
3.5
|
11.3
|
1.0
|
N
|
B:LEU197
|
3.7
|
13.0
|
1.0
|
CZ
|
B:TYR157
|
3.8
|
15.1
|
1.0
|
CA
|
B:CYS196
|
3.9
|
12.3
|
1.0
|
CA
|
B:LEU197
|
4.1
|
13.8
|
1.0
|
OH
|
B:TYR157
|
4.2
|
16.0
|
1.0
|
CD2
|
B:LEU95
|
4.4
|
24.7
|
1.0
|
CB
|
B:VAL200
|
4.4
|
18.1
|
1.0
|
CD1
|
B:LEU197
|
4.5
|
20.9
|
1.0
|
CG
|
B:TYR157
|
4.6
|
9.7
|
1.0
|
CD2
|
B:LEU160
|
4.8
|
19.2
|
1.0
|
CE2
|
B:TYR157
|
4.8
|
9.9
|
1.0
|
|
Mercury binding site 7 out
of 8 in 1pfr
Go back to
Mercury Binding Sites List in 1pfr
Mercury binding site 7 out
of 8 in the Ribonucleoside-Diphosphate Reductase 1 Beta Chain
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 7 of Ribonucleoside-Diphosphate Reductase 1 Beta Chain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Hg607
b:18.4
occ:0.15
|
CB
|
B:CYS268
|
2.2
|
37.6
|
1.0
|
SG
|
B:CYS272
|
2.3
|
23.7
|
1.0
|
O
|
B:CYS268
|
2.8
|
32.9
|
1.0
|
C
|
B:CYS268
|
3.0
|
35.3
|
1.0
|
CA
|
B:CYS268
|
3.1
|
36.5
|
1.0
|
SG
|
B:CYS268
|
3.2
|
42.0
|
1.0
|
CD2
|
B:TYR194
|
3.5
|
21.3
|
1.0
|
CE2
|
B:TYR194
|
3.6
|
22.1
|
1.0
|
CB
|
B:CYS272
|
3.6
|
19.7
|
1.0
|
CD2
|
B:LEU195
|
3.8
|
21.0
|
1.0
|
N
|
B:LYS269
|
3.9
|
30.7
|
1.0
|
N
|
B:CYS272
|
4.0
|
20.2
|
1.0
|
CG
|
B:LEU195
|
4.2
|
19.0
|
1.0
|
CA
|
B:CYS272
|
4.3
|
19.4
|
1.0
|
N
|
B:CYS268
|
4.4
|
37.5
|
1.0
|
O
|
B:ALA265
|
4.5
|
36.6
|
1.0
|
CA
|
B:LYS269
|
4.6
|
30.2
|
1.0
|
O
|
B:HOH660
|
4.6
|
20.3
|
1.0
|
CG
|
B:GLU271
|
4.7
|
35.0
|
1.0
|
CG
|
B:TYR194
|
4.8
|
20.4
|
1.0
|
O
|
B:ILE264
|
4.8
|
30.3
|
1.0
|
C
|
B:GLU271
|
5.0
|
24.6
|
1.0
|
CZ
|
B:TYR194
|
5.0
|
30.8
|
1.0
|
|
Mercury binding site 8 out
of 8 in 1pfr
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Mercury Binding Sites List in 1pfr
Mercury binding site 8 out
of 8 in the Ribonucleoside-Diphosphate Reductase 1 Beta Chain
Mono view
Stereo pair view
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A full contact list of Mercury with other atoms in the Hg binding
site number 8 of Ribonucleoside-Diphosphate Reductase 1 Beta Chain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
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B
|
Occ
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B:Hg608
b:20.9
occ:0.15
|
SG
|
B:CYS214
|
2.3
|
34.7
|
1.0
|
CB
|
B:CYS214
|
2.3
|
29.5
|
1.0
|
CA
|
B:CYS214
|
2.8
|
27.4
|
1.0
|
CG2
|
B:ILE72
|
3.2
|
25.7
|
1.0
|
O
|
B:CYS214
|
3.3
|
29.4
|
1.0
|
C
|
B:CYS214
|
3.4
|
29.7
|
1.0
|
SD
|
B:MET296
|
3.5
|
63.4
|
1.0
|
CD2
|
B:LEU299
|
3.8
|
45.0
|
1.0
|
N
|
B:CYS214
|
4.2
|
26.0
|
1.0
|
CE2
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B:PHE218
|
4.2
|
29.1
|
1.0
|
CG
|
B:MET296
|
4.3
|
59.0
|
1.0
|
CB
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B:ILE72
|
4.6
|
25.3
|
1.0
|
N
|
B:SER215
|
4.6
|
23.1
|
1.0
|
CZ
|
B:PHE291
|
4.6
|
48.8
|
1.0
|
CZ
|
B:PHE218
|
4.7
|
26.8
|
1.0
|
CB
|
B:ALA217
|
4.7
|
22.1
|
1.0
|
CD2
|
B:PHE218
|
4.7
|
26.8
|
1.0
|
O
|
B:HOH610
|
4.8
|
10.2
|
1.0
|
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Reference:
D.T.Logan,
X.D.Su,
A.Aberg,
K.Regnstrom,
J.Hajdu,
H.Eklund,
P.Nordlund.
Crystal Structure of Reduced Protein R2 of Ribonucleotide Reductase: the Structural Basis For Oxygen Activation at A Dinuclear Iron Site. Structure V. 4 1053 1996.
ISSN: ISSN 0969-2126
PubMed: 8805591
DOI: 10.1016/S0969-2126(96)00112-8
Page generated: Sun Aug 11 01:00:58 2024
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