Iron in PDB 8dw7: Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G)
Enzymatic activity of Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G)
All present enzymatic activity of Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G):
3.2.2.31;
Protein crystallography data
The structure of Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G), PDB code: 8dw7
was solved by
M.Demir,
L.P.Russelburg,
M.P.Horvath,
S.S.David,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
72.80 /
1.96
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
48.89,
137.21,
74.16,
90,
101,
90
|
R / Rfree (%)
|
20.3 /
23.4
|
Other elements in 8dw7:
The structure of Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G) also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G)
(pdb code 8dw7). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G), PDB code: 8dw7:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 8dw7
Go back to
Iron Binding Sites List in 8dw7
Iron binding site 1 out
of 8 in the Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:51.9
occ:1.00
|
FE1
|
A:SF4401
|
0.0
|
51.9
|
1.0
|
SG
|
A:CYS208
|
2.2
|
53.4
|
1.0
|
S3
|
A:SF4401
|
2.2
|
57.9
|
1.0
|
S2
|
A:SF4401
|
2.3
|
50.1
|
1.0
|
S4
|
A:SF4401
|
2.3
|
52.4
|
1.0
|
FE4
|
A:SF4401
|
2.7
|
53.3
|
1.0
|
FE3
|
A:SF4401
|
2.7
|
49.0
|
1.0
|
FE2
|
A:SF4401
|
2.7
|
56.8
|
1.0
|
HB2
|
A:CYS208
|
3.0
|
57.9
|
1.0
|
CB
|
A:CYS208
|
3.1
|
57.5
|
1.0
|
HB3
|
A:CYS208
|
3.2
|
57.9
|
1.0
|
HG23
|
A:VAL210
|
3.6
|
48.7
|
1.0
|
HA
|
A:CYS205
|
3.6
|
63.2
|
1.0
|
HB2
|
A:CYS198
|
3.8
|
44.9
|
1.0
|
S1
|
A:SF4401
|
3.9
|
52.8
|
1.0
|
HA
|
A:GLN211
|
3.9
|
57.2
|
1.0
|
HG12
|
A:VAL197
|
4.0
|
50.1
|
1.0
|
HG22
|
A:VAL210
|
4.2
|
48.7
|
1.0
|
HD21
|
A:LEU193
|
4.3
|
46.0
|
1.0
|
HB2
|
A:CYS214
|
4.3
|
54.1
|
1.0
|
CG2
|
A:VAL210
|
4.3
|
49.7
|
1.0
|
HB3
|
A:CYS205
|
4.5
|
61.9
|
1.0
|
HB2
|
A:GLN211
|
4.5
|
62.4
|
1.0
|
H
|
A:VAL210
|
4.5
|
51.7
|
1.0
|
CA
|
A:CYS208
|
4.5
|
56.8
|
1.0
|
CA
|
A:CYS205
|
4.5
|
63.2
|
1.0
|
N
|
A:GLN211
|
4.6
|
58.9
|
1.0
|
HD11
|
A:LEU193
|
4.6
|
51.5
|
1.0
|
CB
|
A:CYS198
|
4.6
|
48.2
|
1.0
|
HG11
|
A:VAL197
|
4.6
|
50.1
|
1.0
|
CA
|
A:GLN211
|
4.6
|
58.6
|
1.0
|
HA
|
A:CYS208
|
4.7
|
56.5
|
1.0
|
H
|
A:GLN211
|
4.7
|
59.7
|
1.0
|
CG1
|
A:VAL197
|
4.7
|
51.1
|
1.0
|
SG
|
A:CYS198
|
4.8
|
49.6
|
1.0
|
SG
|
A:CYS214
|
4.8
|
53.4
|
1.0
|
HG21
|
A:VAL210
|
4.8
|
48.7
|
1.0
|
C
|
A:VAL210
|
4.8
|
56.0
|
1.0
|
CB
|
A:CYS205
|
4.8
|
63.3
|
1.0
|
HD21
|
A:LEU154
|
4.9
|
44.1
|
1.0
|
CB
|
A:CYS214
|
4.9
|
56.3
|
1.0
|
|
Iron binding site 2 out
of 8 in 8dw7
Go back to
Iron Binding Sites List in 8dw7
Iron binding site 2 out
of 8 in the Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:56.8
occ:1.00
|
FE2
|
A:SF4401
|
0.0
|
56.8
|
1.0
|
S1
|
A:SF4401
|
2.3
|
52.8
|
1.0
|
S3
|
A:SF4401
|
2.3
|
57.9
|
1.0
|
S4
|
A:SF4401
|
2.3
|
52.4
|
1.0
|
SG
|
A:CYS205
|
2.5
|
61.0
|
1.0
|
FE3
|
A:SF4401
|
2.7
|
49.0
|
1.0
|
FE4
|
A:SF4401
|
2.7
|
53.3
|
1.0
|
FE1
|
A:SF4401
|
2.7
|
51.9
|
1.0
|
HB3
|
A:CYS205
|
2.9
|
61.9
|
1.0
|
HA
|
A:CYS205
|
2.9
|
63.2
|
1.0
|
CB
|
A:CYS205
|
3.1
|
63.3
|
1.0
|
HB2
|
A:PRO203
|
3.3
|
57.2
|
1.0
|
CA
|
A:CYS205
|
3.4
|
63.2
|
1.0
|
S2
|
A:SF4401
|
3.9
|
50.1
|
1.0
|
HB2
|
A:PHE217
|
3.9
|
67.3
|
1.0
|
HB2
|
A:CYS205
|
4.0
|
61.9
|
1.0
|
N
|
A:CYS205
|
4.0
|
60.4
|
1.0
|
H
|
A:CYS205
|
4.0
|
59.1
|
1.0
|
HB2
|
A:CYS208
|
4.1
|
57.9
|
1.0
|
CB
|
A:PRO203
|
4.2
|
57.1
|
1.0
|
HG2
|
A:PRO203
|
4.4
|
61.4
|
1.0
|
HB3
|
A:CYS208
|
4.5
|
57.9
|
1.0
|
HB3
|
A:PRO203
|
4.6
|
57.2
|
1.0
|
HD1
|
A:PHE217
|
4.6
|
72.0
|
1.0
|
HB2
|
A:CYS198
|
4.6
|
44.9
|
1.0
|
CB
|
A:CYS208
|
4.6
|
57.5
|
1.0
|
HA
|
A:CYS198
|
4.6
|
44.5
|
1.0
|
SG
|
A:CYS208
|
4.7
|
53.4
|
1.0
|
SG
|
A:CYS214
|
4.7
|
53.4
|
1.0
|
HG3
|
A:PRO203
|
4.7
|
61.4
|
1.0
|
CG
|
A:PRO203
|
4.7
|
60.5
|
1.0
|
HB2
|
A:ALA222
|
4.7
|
63.0
|
1.0
|
HD3
|
A:ARG153
|
4.7
|
46.7
|
1.0
|
C
|
A:CYS205
|
4.7
|
66.1
|
1.0
|
HB1
|
A:ALA222
|
4.8
|
63.0
|
1.0
|
SG
|
A:CYS198
|
4.8
|
49.6
|
1.0
|
CB
|
A:PHE217
|
4.9
|
68.0
|
1.0
|
C
|
A:SER204
|
4.9
|
60.9
|
1.0
|
|
Iron binding site 3 out
of 8 in 8dw7
Go back to
Iron Binding Sites List in 8dw7
Iron binding site 3 out
of 8 in the Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:49.0
occ:1.00
|
FE3
|
A:SF4401
|
0.0
|
49.0
|
1.0
|
S1
|
A:SF4401
|
2.2
|
52.8
|
1.0
|
SG
|
A:CYS198
|
2.3
|
49.6
|
1.0
|
S4
|
A:SF4401
|
2.3
|
52.4
|
1.0
|
S2
|
A:SF4401
|
2.3
|
50.1
|
1.0
|
HB2
|
A:CYS198
|
2.6
|
44.9
|
1.0
|
FE4
|
A:SF4401
|
2.7
|
53.3
|
1.0
|
FE2
|
A:SF4401
|
2.7
|
56.8
|
1.0
|
FE1
|
A:SF4401
|
2.7
|
51.9
|
1.0
|
CB
|
A:CYS198
|
2.9
|
48.2
|
1.0
|
HA
|
A:CYS198
|
3.5
|
44.5
|
1.0
|
HD3
|
A:ARG153
|
3.5
|
46.7
|
1.0
|
HB3
|
A:CYS198
|
3.7
|
44.9
|
1.0
|
HH11
|
A:ARG153
|
3.7
|
48.9
|
1.0
|
CA
|
A:CYS198
|
3.8
|
48.3
|
1.0
|
S3
|
A:SF4401
|
3.8
|
57.9
|
1.0
|
HD2
|
A:ARG153
|
4.0
|
46.7
|
1.0
|
HB2
|
A:PRO203
|
4.0
|
57.2
|
1.0
|
CD
|
A:ARG153
|
4.2
|
47.3
|
1.0
|
HB3
|
A:ARG153
|
4.3
|
47.5
|
1.0
|
HB2
|
A:ARG153
|
4.3
|
47.5
|
1.0
|
HB3
|
A:PRO203
|
4.3
|
57.2
|
1.0
|
NH1
|
A:ARG153
|
4.5
|
47.7
|
1.0
|
HA
|
A:VAL150
|
4.6
|
40.2
|
1.0
|
HG12
|
A:VAL197
|
4.6
|
50.1
|
1.0
|
CB
|
A:PRO203
|
4.6
|
57.1
|
1.0
|
CB
|
A:ARG153
|
4.7
|
48.5
|
1.0
|
SG
|
A:CYS214
|
4.7
|
53.4
|
1.0
|
HG22
|
A:VAL150
|
4.7
|
44.4
|
1.0
|
SG
|
A:CYS208
|
4.7
|
53.4
|
1.0
|
N
|
A:CYS198
|
4.8
|
51.3
|
1.0
|
HD21
|
A:LEU193
|
4.8
|
46.0
|
1.0
|
HG13
|
A:VAL150
|
4.8
|
49.8
|
1.0
|
C
|
A:CYS198
|
4.9
|
49.1
|
1.0
|
SG
|
A:CYS205
|
4.9
|
61.0
|
1.0
|
HH12
|
A:ARG153
|
4.9
|
48.9
|
1.0
|
HA
|
A:CYS205
|
5.0
|
63.2
|
1.0
|
|
Iron binding site 4 out
of 8 in 8dw7
Go back to
Iron Binding Sites List in 8dw7
Iron binding site 4 out
of 8 in the Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:53.3
occ:1.00
|
FE4
|
A:SF4401
|
0.0
|
53.3
|
1.0
|
S2
|
A:SF4401
|
2.2
|
50.1
|
1.0
|
SG
|
A:CYS214
|
2.3
|
53.4
|
1.0
|
S1
|
A:SF4401
|
2.3
|
52.8
|
1.0
|
S3
|
A:SF4401
|
2.3
|
57.9
|
1.0
|
FE3
|
A:SF4401
|
2.7
|
49.0
|
1.0
|
FE1
|
A:SF4401
|
2.7
|
51.9
|
1.0
|
FE2
|
A:SF4401
|
2.7
|
56.8
|
1.0
|
HB2
|
A:CYS214
|
2.9
|
54.1
|
1.0
|
CB
|
A:CYS214
|
3.1
|
56.3
|
1.0
|
HB3
|
A:CYS214
|
3.4
|
54.1
|
1.0
|
HB2
|
A:PHE217
|
3.5
|
67.3
|
1.0
|
HD23
|
A:LEU154
|
3.7
|
44.1
|
1.0
|
HB3
|
A:ARG153
|
3.7
|
47.5
|
1.0
|
S4
|
A:SF4401
|
3.9
|
52.4
|
1.0
|
H
|
A:PHE217
|
4.1
|
65.4
|
1.0
|
HA
|
A:GLN211
|
4.3
|
57.2
|
1.0
|
CB
|
A:PHE217
|
4.4
|
68.0
|
1.0
|
HD21
|
A:LEU154
|
4.4
|
44.1
|
1.0
|
HB2
|
A:ARG153
|
4.5
|
47.5
|
1.0
|
HB3
|
A:PHE217
|
4.5
|
67.3
|
1.0
|
CD2
|
A:LEU154
|
4.5
|
47.1
|
1.0
|
HD3
|
A:ARG153
|
4.5
|
46.7
|
1.0
|
CA
|
A:CYS214
|
4.5
|
57.6
|
1.0
|
CB
|
A:ARG153
|
4.5
|
48.5
|
1.0
|
HG
|
A:LEU154
|
4.6
|
44.4
|
1.0
|
HA
|
A:CYS214
|
4.6
|
55.5
|
1.0
|
HB3
|
A:ALA216
|
4.6
|
56.5
|
1.0
|
HG23
|
A:VAL210
|
4.6
|
48.7
|
1.0
|
SG
|
A:CYS198
|
4.7
|
49.6
|
1.0
|
SG
|
A:CYS208
|
4.7
|
53.4
|
1.0
|
HB3
|
A:CYS205
|
4.8
|
61.9
|
1.0
|
N
|
A:PHE217
|
4.8
|
66.7
|
1.0
|
HA
|
A:LEU154
|
4.8
|
47.8
|
1.0
|
SG
|
A:CYS205
|
4.9
|
61.0
|
1.0
|
|
Iron binding site 5 out
of 8 in 8dw7
Go back to
Iron Binding Sites List in 8dw7
Iron binding site 5 out
of 8 in the Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe401
b:48.7
occ:1.00
|
FE1
|
D:SF4401
|
0.0
|
48.7
|
1.0
|
S3
|
D:SF4401
|
2.2
|
51.1
|
1.0
|
S2
|
D:SF4401
|
2.3
|
44.5
|
1.0
|
S4
|
D:SF4401
|
2.3
|
48.2
|
1.0
|
SG
|
D:CYS208
|
2.3
|
51.2
|
1.0
|
FE2
|
D:SF4401
|
2.7
|
52.6
|
1.0
|
FE4
|
D:SF4401
|
2.7
|
48.5
|
1.0
|
FE3
|
D:SF4401
|
2.8
|
44.3
|
1.0
|
HB2
|
D:CYS208
|
3.0
|
54.6
|
1.0
|
CB
|
D:CYS208
|
3.1
|
55.3
|
1.0
|
HB3
|
D:CYS208
|
3.3
|
54.6
|
1.0
|
HA
|
D:CYS205
|
3.5
|
64.9
|
1.0
|
HG23
|
D:VAL210
|
3.7
|
49.1
|
1.0
|
S1
|
D:SF4401
|
3.9
|
49.1
|
1.0
|
HA
|
D:GLN211
|
3.9
|
56.1
|
1.0
|
HB2
|
D:CYS198
|
3.9
|
42.6
|
1.0
|
HG12
|
D:VAL197
|
4.1
|
47.6
|
1.0
|
HG22
|
D:VAL210
|
4.3
|
49.1
|
1.0
|
HD21
|
D:LEU193
|
4.3
|
41.5
|
1.0
|
HB2
|
D:CYS214
|
4.3
|
52.7
|
1.0
|
CG2
|
D:VAL210
|
4.4
|
48.4
|
1.0
|
HB3
|
D:CYS205
|
4.5
|
61.6
|
1.0
|
CA
|
D:CYS205
|
4.5
|
62.5
|
1.0
|
HD11
|
D:LEU193
|
4.5
|
45.6
|
1.0
|
CA
|
D:CYS208
|
4.6
|
56.5
|
1.0
|
HG11
|
D:VAL197
|
4.6
|
47.6
|
1.0
|
HB2
|
D:GLN211
|
4.6
|
61.5
|
1.0
|
H
|
D:VAL210
|
4.6
|
50.1
|
1.0
|
CA
|
D:GLN211
|
4.7
|
57.8
|
1.0
|
SG
|
D:CYS198
|
4.7
|
46.4
|
1.0
|
N
|
D:GLN211
|
4.7
|
57.2
|
1.0
|
CB
|
D:CYS198
|
4.7
|
44.5
|
1.0
|
HA
|
D:CYS208
|
4.8
|
55.7
|
1.0
|
CG1
|
D:VAL197
|
4.8
|
48.4
|
1.0
|
CB
|
D:CYS205
|
4.8
|
60.9
|
1.0
|
SG
|
D:CYS214
|
4.8
|
48.8
|
1.0
|
H
|
D:GLN211
|
4.9
|
56.2
|
1.0
|
HG21
|
D:VAL210
|
4.9
|
49.1
|
1.0
|
SG
|
D:CYS205
|
4.9
|
56.9
|
1.0
|
C
|
D:VAL210
|
4.9
|
53.7
|
1.0
|
CB
|
D:CYS214
|
5.0
|
52.3
|
1.0
|
HD21
|
D:LEU154
|
5.0
|
42.0
|
1.0
|
HA
|
D:CYS198
|
5.0
|
44.2
|
1.0
|
|
Iron binding site 6 out
of 8 in 8dw7
Go back to
Iron Binding Sites List in 8dw7
Iron binding site 6 out
of 8 in the Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe401
b:52.6
occ:1.00
|
FE2
|
D:SF4401
|
0.0
|
52.6
|
1.0
|
S4
|
D:SF4401
|
2.2
|
48.2
|
1.0
|
S3
|
D:SF4401
|
2.2
|
51.1
|
1.0
|
S1
|
D:SF4401
|
2.3
|
49.1
|
1.0
|
SG
|
D:CYS205
|
2.4
|
56.9
|
1.0
|
FE1
|
D:SF4401
|
2.7
|
48.7
|
1.0
|
FE4
|
D:SF4401
|
2.7
|
48.5
|
1.0
|
FE3
|
D:SF4401
|
2.8
|
44.3
|
1.0
|
HA
|
D:CYS205
|
2.8
|
64.9
|
1.0
|
HB3
|
D:CYS205
|
3.0
|
61.6
|
1.0
|
CB
|
D:CYS205
|
3.1
|
60.9
|
1.0
|
CA
|
D:CYS205
|
3.4
|
62.5
|
1.0
|
HB2
|
D:PRO203
|
3.4
|
54.5
|
1.0
|
HB2
|
D:PHE217
|
3.8
|
60.6
|
1.0
|
S2
|
D:SF4401
|
3.8
|
44.5
|
1.0
|
N
|
D:CYS205
|
3.9
|
60.7
|
1.0
|
H
|
D:CYS205
|
3.9
|
61.5
|
1.0
|
HB2
|
D:CYS205
|
4.0
|
61.6
|
1.0
|
HB2
|
D:CYS208
|
4.1
|
54.6
|
1.0
|
CB
|
D:PRO203
|
4.3
|
53.4
|
1.0
|
HD2
|
D:PHE217
|
4.3
|
63.9
|
1.0
|
HG2
|
D:PRO203
|
4.4
|
52.6
|
1.0
|
HB3
|
D:CYS208
|
4.6
|
54.6
|
1.0
|
CB
|
D:CYS208
|
4.6
|
55.3
|
1.0
|
HA
|
D:CYS198
|
4.6
|
44.2
|
1.0
|
HB3
|
D:PRO203
|
4.6
|
54.5
|
1.0
|
SG
|
D:CYS208
|
4.7
|
51.2
|
1.0
|
SG
|
D:CYS198
|
4.7
|
46.4
|
1.0
|
CG
|
D:PRO203
|
4.7
|
52.9
|
1.0
|
HB2
|
D:ALA222
|
4.7
|
57.5
|
1.0
|
C
|
D:CYS205
|
4.7
|
66.9
|
1.0
|
HG3
|
D:PRO203
|
4.7
|
52.6
|
1.0
|
HD3
|
D:ARG153
|
4.8
|
45.0
|
1.0
|
C
|
D:SER204
|
4.8
|
58.6
|
1.0
|
SG
|
D:CYS214
|
4.8
|
48.8
|
1.0
|
CB
|
D:PHE217
|
4.8
|
58.4
|
1.0
|
HG12
|
D:VAL197
|
4.8
|
47.6
|
1.0
|
HB2
|
D:CYS198
|
4.8
|
42.6
|
1.0
|
HB1
|
D:ALA222
|
4.8
|
57.5
|
1.0
|
|
Iron binding site 7 out
of 8 in 8dw7
Go back to
Iron Binding Sites List in 8dw7
Iron binding site 7 out
of 8 in the Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe401
b:44.3
occ:1.00
|
FE3
|
D:SF4401
|
0.0
|
44.3
|
1.0
|
SG
|
D:CYS198
|
2.2
|
46.4
|
1.0
|
S2
|
D:SF4401
|
2.2
|
44.5
|
1.0
|
S1
|
D:SF4401
|
2.3
|
49.1
|
1.0
|
S4
|
D:SF4401
|
2.3
|
48.2
|
1.0
|
FE4
|
D:SF4401
|
2.7
|
48.5
|
1.0
|
HB2
|
D:CYS198
|
2.7
|
42.6
|
1.0
|
FE1
|
D:SF4401
|
2.8
|
48.7
|
1.0
|
FE2
|
D:SF4401
|
2.8
|
52.6
|
1.0
|
CB
|
D:CYS198
|
3.0
|
44.5
|
1.0
|
HD3
|
D:ARG153
|
3.4
|
45.0
|
1.0
|
HA
|
D:CYS198
|
3.4
|
44.2
|
1.0
|
HH11
|
D:ARG153
|
3.7
|
47.4
|
1.0
|
HB3
|
D:CYS198
|
3.8
|
42.6
|
1.0
|
CA
|
D:CYS198
|
3.8
|
46.2
|
1.0
|
S3
|
D:SF4401
|
3.9
|
51.1
|
1.0
|
HD2
|
D:ARG153
|
3.9
|
45.0
|
1.0
|
HB2
|
D:PRO203
|
4.0
|
54.5
|
1.0
|
HB3
|
D:ARG153
|
4.0
|
41.9
|
1.0
|
CD
|
D:ARG153
|
4.1
|
45.9
|
1.0
|
HB2
|
D:ARG153
|
4.3
|
41.9
|
1.0
|
HB3
|
D:PRO203
|
4.4
|
54.5
|
1.0
|
NH1
|
D:ARG153
|
4.5
|
47.9
|
1.0
|
HG22
|
D:VAL150
|
4.5
|
39.3
|
1.0
|
CB
|
D:ARG153
|
4.6
|
43.9
|
1.0
|
HA
|
D:VAL150
|
4.6
|
37.1
|
1.0
|
CB
|
D:PRO203
|
4.6
|
53.4
|
1.0
|
HG12
|
D:VAL197
|
4.7
|
47.6
|
1.0
|
SG
|
D:CYS214
|
4.7
|
48.8
|
1.0
|
SG
|
D:CYS208
|
4.8
|
51.2
|
1.0
|
N
|
D:CYS198
|
4.8
|
47.8
|
1.0
|
HD21
|
D:LEU193
|
4.8
|
41.5
|
1.0
|
CG
|
D:ARG153
|
4.9
|
45.5
|
1.0
|
C
|
D:CYS198
|
4.9
|
45.6
|
1.0
|
SG
|
D:CYS205
|
5.0
|
56.9
|
1.0
|
HH12
|
D:ARG153
|
5.0
|
47.4
|
1.0
|
HB1
|
D:ALA222
|
5.0
|
57.5
|
1.0
|
|
Iron binding site 8 out
of 8 in 8dw7
Go back to
Iron Binding Sites List in 8dw7
Iron binding site 8 out
of 8 in the Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Dna Glycosylase Muty Variant N146S in Complex with Dna Containing the Transition State Analog 1N Paired with D(8-Oxo-G) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe401
b:48.5
occ:1.00
|
FE4
|
D:SF4401
|
0.0
|
48.5
|
1.0
|
S2
|
D:SF4401
|
2.2
|
44.5
|
1.0
|
S1
|
D:SF4401
|
2.2
|
49.1
|
1.0
|
SG
|
D:CYS214
|
2.3
|
48.8
|
1.0
|
S3
|
D:SF4401
|
2.3
|
51.1
|
1.0
|
FE3
|
D:SF4401
|
2.7
|
44.3
|
1.0
|
FE1
|
D:SF4401
|
2.7
|
48.7
|
1.0
|
FE2
|
D:SF4401
|
2.7
|
52.6
|
1.0
|
HB2
|
D:CYS214
|
2.9
|
52.7
|
1.0
|
CB
|
D:CYS214
|
3.1
|
52.3
|
1.0
|
HB3
|
D:CYS214
|
3.4
|
52.7
|
1.0
|
HB2
|
D:PHE217
|
3.6
|
60.6
|
1.0
|
HB3
|
D:ARG153
|
3.7
|
41.9
|
1.0
|
HD23
|
D:LEU154
|
3.7
|
42.0
|
1.0
|
S4
|
D:SF4401
|
3.8
|
48.2
|
1.0
|
H
|
D:PHE217
|
4.0
|
60.5
|
1.0
|
HB3
|
D:PHE217
|
4.2
|
60.6
|
1.0
|
CB
|
D:PHE217
|
4.3
|
58.4
|
1.0
|
HA
|
D:GLN211
|
4.4
|
56.1
|
1.0
|
HD3
|
D:ARG153
|
4.5
|
45.0
|
1.0
|
HD21
|
D:LEU154
|
4.5
|
42.0
|
1.0
|
CD2
|
D:LEU154
|
4.5
|
42.6
|
1.0
|
HB3
|
D:ALA216
|
4.5
|
57.3
|
1.0
|
CA
|
D:CYS214
|
4.6
|
53.0
|
1.0
|
CB
|
D:ARG153
|
4.6
|
43.9
|
1.0
|
HG
|
D:LEU154
|
4.7
|
44.2
|
1.0
|
SG
|
D:CYS198
|
4.7
|
46.4
|
1.0
|
HB2
|
D:ARG153
|
4.7
|
41.9
|
1.0
|
HA
|
D:CYS214
|
4.7
|
53.8
|
1.0
|
N
|
D:PHE217
|
4.7
|
57.3
|
1.0
|
HA
|
D:LEU154
|
4.7
|
44.1
|
1.0
|
HB3
|
D:CYS205
|
4.7
|
61.6
|
1.0
|
HG23
|
D:VAL210
|
4.8
|
49.1
|
1.0
|
SG
|
D:CYS205
|
4.8
|
56.9
|
1.0
|
HB2
|
D:ALA222
|
4.9
|
57.5
|
1.0
|
SG
|
D:CYS208
|
4.9
|
51.2
|
1.0
|
|
Reference:
M.Demir,
L.P.Russelburg,
J.Lin,
C.H.Trasvina-Arenas,
B.Huang,
P.K.Yuen,
M.P.Horvath,
S.S.David.
Structural Snapshots of Base Excision Mechanism By Dna Glycosylase Muty Reveal Retention of Stereochemistry For Abasic Site Product Formation To Be Published.
Page generated: Sat Aug 10 00:24:50 2024
|