Sodium in PDB 8i1e: Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0
Enzymatic activity of Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0
All present enzymatic activity of Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0:
3.6.1.55;
3.6.1.56;
Protein crystallography data
The structure of Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0, PDB code: 8i1e
was solved by
T.Nakamura,
Y.Yamagata,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
33.19 /
1.10
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
46.232,
47.676,
124.007,
90,
90,
90
|
|
R / Rfree (%)
|
14.2 /
17.6
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0
(pdb code 8i1e). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 6 binding sites of Sodium where determined in the
Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0, PDB code: 8i1e:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
6;
Sodium binding site 1 out
of 6 in 8i1e
Go back to
Sodium Binding Sites List in 8i1e
Sodium binding site 1 out
of 6 in the Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na202
b:32.6
occ:0.50
|
O
|
A:HOH304
|
0.1
|
32.6
|
0.5
|
|
O
|
A:HOH384
|
2.4
|
24.1
|
1.0
|
|
O2B
|
A:6U4201
|
2.4
|
15.8
|
0.3
|
|
OE2
|
A:GLU52
|
2.4
|
22.1
|
1.0
|
|
O
|
A:HOH416
|
2.6
|
34.8
|
0.5
|
|
O2B
|
A:6U4201
|
2.6
|
15.9
|
0.7
|
|
O
|
A:HOH416
|
2.8
|
34.2
|
0.5
|
|
CD
|
A:GLU52
|
3.3
|
19.5
|
1.0
|
|
HH12
|
A:ARG51
|
3.4
|
23.2
|
1.0
|
|
NA
|
A:NA204
|
3.4
|
49.1
|
1.0
|
|
H
|
A:LYS38
|
3.5
|
12.0
|
1.0
|
|
OE1
|
A:GLU52
|
3.6
|
20.4
|
1.0
|
|
PB
|
A:6U4201
|
3.6
|
19.7
|
0.7
|
|
O1B
|
A:6U4201
|
3.7
|
18.7
|
0.7
|
|
PB
|
A:6U4201
|
3.7
|
15.3
|
0.3
|
|
HE21
|
A:GLN40
|
3.7
|
25.3
|
1.0
|
|
HA3
|
A:GLY37
|
3.9
|
12.5
|
1.0
|
|
O
|
A:HOH303
|
3.9
|
30.8
|
1.0
|
|
HB2
|
A:LYS38
|
4.0
|
13.5
|
1.0
|
|
O2G
|
A:6U4201
|
4.0
|
16.1
|
0.3
|
|
O
|
A:HOH302
|
4.1
|
30.5
|
1.0
|
|
N
|
A:LYS38
|
4.1
|
10.0
|
1.0
|
|
O1B
|
A:6U4201
|
4.1
|
18.0
|
0.3
|
|
NH1
|
A:ARG51
|
4.2
|
19.3
|
1.0
|
|
HH22
|
A:ARG51
|
4.2
|
18.9
|
1.0
|
|
O
|
A:LYS38
|
4.3
|
12.9
|
1.0
|
|
O3G
|
A:6U4201
|
4.4
|
38.0
|
0.7
|
|
NE2
|
A:GLN40
|
4.5
|
21.1
|
1.0
|
|
O3B
|
A:6U4201
|
4.5
|
25.5
|
0.7
|
|
O3B
|
A:6U4201
|
4.5
|
13.3
|
0.3
|
|
OE1
|
A:GLU55
|
4.6
|
29.9
|
1.0
|
|
O
|
A:HOH472
|
4.6
|
38.1
|
1.0
|
|
HH11
|
A:ARG51
|
4.6
|
23.2
|
1.0
|
|
HE22
|
A:GLN40
|
4.6
|
25.3
|
1.0
|
|
CA
|
A:GLY37
|
4.7
|
10.4
|
1.0
|
|
CG
|
A:GLU52
|
4.7
|
16.9
|
1.0
|
|
O2G
|
A:6U4201
|
4.8
|
35.5
|
0.7
|
|
CB
|
A:LYS38
|
4.8
|
11.3
|
1.0
|
|
C
|
A:GLY37
|
4.8
|
10.8
|
1.0
|
|
O3A
|
A:6U4201
|
4.8
|
16.2
|
1.0
|
|
PG
|
A:6U4201
|
4.9
|
33.6
|
0.7
|
|
NH2
|
A:ARG51
|
4.9
|
15.7
|
1.0
|
|
CA
|
A:LYS38
|
4.9
|
10.4
|
1.0
|
|
HG2
|
A:GLU52
|
4.9
|
20.3
|
1.0
|
|
PG
|
A:6U4201
|
4.9
|
12.1
|
0.3
|
|
HG3
|
A:GLU52
|
5.0
|
20.3
|
1.0
|
|
CZ
|
A:ARG51
|
5.0
|
16.1
|
1.0
|
|
Sodium binding site 2 out
of 6 in 8i1e
Go back to
Sodium Binding Sites List in 8i1e
Sodium binding site 2 out
of 6 in the Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na203
b:14.7
occ:0.68
|
OE2
|
A:GLU56
|
2.3
|
20.5
|
0.5
|
|
O2A
|
A:6U4201
|
2.3
|
19.0
|
1.0
|
|
O
|
A:HOH448
|
2.3
|
39.7
|
1.0
|
|
O
|
A:GLY36
|
2.4
|
12.3
|
1.0
|
|
O
|
A:HOH373
|
2.4
|
18.2
|
1.0
|
|
O1B
|
A:6U4201
|
2.5
|
18.7
|
0.7
|
|
NA
|
A:NA204
|
3.0
|
49.1
|
1.0
|
|
CD
|
A:GLU56
|
3.2
|
20.4
|
0.5
|
|
O1B
|
A:6U4201
|
3.4
|
18.0
|
0.3
|
|
OE1
|
A:GLU56
|
3.5
|
18.1
|
0.5
|
|
PA
|
A:6U4201
|
3.5
|
17.0
|
1.0
|
|
C
|
A:GLY36
|
3.6
|
11.1
|
1.0
|
|
HA3
|
A:GLY37
|
3.6
|
12.5
|
1.0
|
|
PB
|
A:6U4201
|
3.6
|
19.7
|
0.7
|
|
HA2
|
A:GLY37
|
3.7
|
12.5
|
1.0
|
|
O3A
|
A:6U4201
|
3.7
|
16.2
|
1.0
|
|
OE1
|
A:GLU56
|
4.0
|
12.7
|
0.5
|
|
PB
|
A:6U4201
|
4.0
|
15.3
|
0.3
|
|
CA
|
A:GLY37
|
4.0
|
10.4
|
1.0
|
|
H
|
A:GLY36
|
4.0
|
12.6
|
1.0
|
|
O5'
|
A:6U4201
|
4.1
|
14.3
|
1.0
|
|
O
|
A:HOH408
|
4.2
|
34.3
|
1.0
|
|
N
|
A:GLY37
|
4.3
|
10.2
|
1.0
|
|
OE1
|
A:GLU52
|
4.3
|
20.4
|
1.0
|
|
O
|
A:HOH346
|
4.3
|
44.6
|
1.0
|
|
CD
|
A:GLU56
|
4.3
|
12.2
|
0.5
|
|
O2G
|
A:6U4201
|
4.3
|
35.5
|
0.7
|
|
O
|
A:HOH330
|
4.4
|
16.3
|
1.0
|
|
O
|
A:HOH302
|
4.4
|
30.5
|
1.0
|
|
OE2
|
A:GLU56
|
4.4
|
14.9
|
0.5
|
|
O2B
|
A:6U4201
|
4.5
|
15.8
|
0.3
|
|
CG
|
A:GLU56
|
4.6
|
19.8
|
0.5
|
|
C4'
|
A:6U4201
|
4.6
|
13.0
|
1.0
|
|
O3B
|
A:6U4201
|
4.6
|
25.5
|
0.7
|
|
HG2
|
A:GLU56
|
4.7
|
23.8
|
0.5
|
|
N
|
A:GLY36
|
4.7
|
10.5
|
1.0
|
|
O2B
|
A:6U4201
|
4.7
|
15.9
|
0.7
|
|
CA
|
A:GLY36
|
4.7
|
10.8
|
1.0
|
|
C5'
|
A:6U4201
|
4.8
|
13.9
|
1.0
|
|
O1A
|
A:6U4201
|
4.8
|
22.6
|
1.0
|
|
HG3
|
A:GLU56
|
4.9
|
23.8
|
0.5
|
|
Sodium binding site 3 out
of 6 in 8i1e
Go back to
Sodium Binding Sites List in 8i1e
Sodium binding site 3 out
of 6 in the Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na204
b:49.1
occ:1.00
|
OE2
|
A:GLU56
|
2.2
|
20.5
|
0.5
|
|
O1B
|
A:6U4201
|
2.3
|
18.7
|
0.7
|
|
OE1
|
A:GLU52
|
2.3
|
20.4
|
1.0
|
|
O
|
A:HOH302
|
2.4
|
30.5
|
1.0
|
|
O
|
A:HOH303
|
2.7
|
30.8
|
1.0
|
|
NA
|
A:NA203
|
3.0
|
14.7
|
0.7
|
|
CD
|
A:GLU56
|
3.3
|
20.4
|
0.5
|
|
O
|
A:HOH304
|
3.3
|
32.6
|
0.5
|
|
CD
|
A:GLU52
|
3.3
|
19.5
|
1.0
|
|
O1B
|
A:6U4201
|
3.4
|
18.0
|
0.3
|
|
HG2
|
A:GLU56
|
3.4
|
23.8
|
0.5
|
|
NA
|
A:NA202
|
3.4
|
32.6
|
0.5
|
|
HA3
|
A:GLY37
|
3.5
|
12.5
|
1.0
|
|
O
|
A:HOH416
|
3.5
|
34.2
|
0.5
|
|
PB
|
A:6U4201
|
3.6
|
19.7
|
0.7
|
|
O2B
|
A:6U4201
|
3.6
|
15.8
|
0.3
|
|
OE2
|
A:GLU52
|
3.7
|
22.1
|
1.0
|
|
HG3
|
A:GLU56
|
3.7
|
23.8
|
0.5
|
|
CG
|
A:GLU56
|
3.7
|
19.8
|
0.5
|
|
O2G
|
A:6U4201
|
3.8
|
35.5
|
0.7
|
|
O
|
A:GLY36
|
3.8
|
12.3
|
1.0
|
|
O
|
A:HOH448
|
3.8
|
39.7
|
1.0
|
|
PB
|
A:6U4201
|
3.9
|
15.3
|
0.3
|
|
O2B
|
A:6U4201
|
4.0
|
15.9
|
0.7
|
|
HB2
|
A:GLU56
|
4.4
|
15.5
|
0.5
|
|
OE1
|
A:GLU56
|
4.4
|
18.1
|
0.5
|
|
CA
|
A:GLY37
|
4.4
|
10.4
|
1.0
|
|
HB3
|
A:GLU52
|
4.4
|
18.9
|
1.0
|
|
C
|
A:GLY36
|
4.5
|
11.1
|
1.0
|
|
O3B
|
A:6U4201
|
4.6
|
25.5
|
0.7
|
|
O3A
|
A:6U4201
|
4.6
|
16.2
|
1.0
|
|
HA2
|
A:GLY37
|
4.6
|
12.5
|
1.0
|
|
O
|
A:HOH416
|
4.6
|
34.8
|
0.5
|
|
CG
|
A:GLU52
|
4.7
|
16.9
|
1.0
|
|
OE1
|
A:GLU55
|
4.8
|
29.9
|
1.0
|
|
O2A
|
A:6U4201
|
4.8
|
19.0
|
1.0
|
|
OE1
|
A:GLU56
|
4.8
|
12.7
|
0.5
|
|
HA
|
A:GLU52
|
4.8
|
17.0
|
1.0
|
|
PG
|
A:6U4201
|
4.8
|
33.6
|
0.7
|
|
N
|
A:GLY37
|
4.8
|
10.2
|
1.0
|
|
H
|
A:LYS38
|
4.9
|
12.0
|
1.0
|
|
CB
|
A:GLU52
|
5.0
|
15.7
|
1.0
|
|
Sodium binding site 4 out
of 6 in 8i1e
Go back to
Sodium Binding Sites List in 8i1e
Sodium binding site 4 out
of 6 in the Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na202
b:19.4
occ:0.65
|
NA
|
B:NA202
|
0.0
|
19.4
|
0.7
|
|
NA
|
B:NA202
|
1.7
|
16.7
|
0.3
|
|
O1A
|
B:6U4201
|
2.1
|
25.4
|
0.7
|
|
OE2
|
B:GLU56
|
2.2
|
22.8
|
0.7
|
|
O
|
B:HOH326
|
2.2
|
25.7
|
1.0
|
|
O2A
|
B:6U4201
|
2.4
|
32.5
|
0.3
|
|
O
|
B:GLY36
|
2.4
|
14.1
|
1.0
|
|
O
|
B:HOH358
|
2.5
|
53.9
|
1.0
|
|
O2B
|
B:6U4201
|
2.6
|
42.5
|
0.7
|
|
NA
|
B:NA203
|
3.0
|
45.9
|
0.6
|
|
CD
|
B:GLU56
|
3.2
|
20.1
|
0.7
|
|
PA
|
B:6U4201
|
3.3
|
31.4
|
0.3
|
|
PA
|
B:6U4201
|
3.4
|
28.9
|
0.7
|
|
O1A
|
B:6U4201
|
3.6
|
29.0
|
0.3
|
|
HA3
|
B:GLY37
|
3.6
|
13.3
|
1.0
|
|
C
|
B:GLY36
|
3.6
|
12.0
|
1.0
|
|
O3A
|
B:6U4201
|
3.6
|
33.5
|
0.7
|
|
OE1
|
B:GLU56
|
3.6
|
21.6
|
0.7
|
|
PB
|
B:6U4201
|
3.7
|
33.6
|
0.7
|
|
HA2
|
B:GLY37
|
3.7
|
13.3
|
1.0
|
|
O5'
|
B:6U4201
|
3.9
|
21.0
|
0.3
|
|
OE1
|
B:GLU56
|
3.9
|
22.3
|
0.3
|
|
CA
|
B:GLY37
|
4.0
|
11.1
|
1.0
|
|
OE1
|
B:GLU52
|
4.1
|
22.4
|
1.0
|
|
O5'
|
B:6U4201
|
4.1
|
21.7
|
0.7
|
|
H
|
B:GLY36
|
4.1
|
14.2
|
1.0
|
|
HZ1
|
B:LYS23
|
4.1
|
49.5
|
1.0
|
|
O
|
B:HOH339
|
4.2
|
19.1
|
1.0
|
|
HE3
|
B:LYS23
|
4.3
|
48.4
|
1.0
|
|
N
|
B:GLY37
|
4.3
|
10.5
|
1.0
|
|
CD
|
B:GLU56
|
4.3
|
20.7
|
0.3
|
|
OE2
|
B:GLU56
|
4.4
|
21.1
|
0.3
|
|
CG
|
B:GLU56
|
4.5
|
21.3
|
0.7
|
|
HE2
|
B:LYS23
|
4.5
|
48.4
|
1.0
|
|
C4'
|
B:6U4201
|
4.5
|
14.8
|
0.3
|
|
HG2
|
B:GLU56
|
4.5
|
25.6
|
0.7
|
|
C4'
|
B:6U4201
|
4.6
|
14.8
|
0.7
|
|
O2A
|
B:6U4201
|
4.6
|
31.9
|
0.7
|
|
C5'
|
B:6U4201
|
4.7
|
17.6
|
0.3
|
|
O1B
|
B:6U4201
|
4.7
|
29.5
|
0.7
|
|
N
|
B:GLY36
|
4.7
|
11.9
|
1.0
|
|
HG3
|
B:GLU56
|
4.7
|
25.6
|
0.7
|
|
CE
|
B:LYS23
|
4.7
|
40.3
|
1.0
|
|
CA
|
B:GLY36
|
4.8
|
11.9
|
1.0
|
|
O3A
|
B:6U4201
|
4.8
|
35.5
|
0.3
|
|
O3B
|
B:6U4201
|
4.8
|
39.9
|
0.7
|
|
C5'
|
B:6U4201
|
4.8
|
18.2
|
0.7
|
|
NZ
|
B:LYS23
|
4.8
|
41.2
|
1.0
|
|
CD
|
B:GLU52
|
5.0
|
20.5
|
1.0
|
|
Sodium binding site 5 out
of 6 in 8i1e
Go back to
Sodium Binding Sites List in 8i1e
Sodium binding site 5 out
of 6 in the Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na202
b:16.7
occ:0.35
|
NA
|
B:NA202
|
0.0
|
16.7
|
0.3
|
|
NA
|
B:NA203
|
1.5
|
45.9
|
0.6
|
|
NA
|
B:NA202
|
1.7
|
19.4
|
0.7
|
|
O2B
|
B:6U4201
|
2.1
|
42.5
|
0.7
|
|
OE2
|
B:GLU56
|
2.2
|
22.8
|
0.7
|
|
O
|
B:GLY36
|
2.5
|
14.1
|
1.0
|
|
OE1
|
B:GLU52
|
2.5
|
22.4
|
1.0
|
|
HA3
|
B:GLY37
|
2.8
|
13.3
|
1.0
|
|
O
|
B:HOH358
|
3.1
|
53.9
|
1.0
|
|
CD
|
B:GLU56
|
3.1
|
20.1
|
0.7
|
|
PB
|
B:6U4201
|
3.3
|
33.6
|
0.7
|
|
O1A
|
B:6U4201
|
3.4
|
25.4
|
0.7
|
|
C
|
B:GLY36
|
3.4
|
12.0
|
1.0
|
|
CD
|
B:GLU52
|
3.5
|
20.5
|
1.0
|
|
CA
|
B:GLY37
|
3.5
|
11.1
|
1.0
|
|
O
|
B:HOH326
|
3.5
|
25.7
|
1.0
|
|
HA2
|
B:GLY37
|
3.6
|
13.3
|
1.0
|
|
O
|
B:HOH306
|
3.6
|
39.9
|
1.0
|
|
O2A
|
B:6U4201
|
3.6
|
32.5
|
0.3
|
|
O1A
|
B:6U4201
|
3.7
|
29.0
|
0.3
|
|
O
|
B:HOH393
|
3.8
|
44.2
|
1.0
|
|
O3A
|
B:6U4201
|
3.8
|
33.5
|
0.7
|
|
O1B
|
B:6U4201
|
3.8
|
29.5
|
0.7
|
|
OE1
|
B:GLU56
|
3.8
|
21.6
|
0.7
|
|
N
|
B:GLY37
|
3.9
|
10.5
|
1.0
|
|
HG3
|
B:GLU56
|
3.9
|
25.6
|
0.7
|
|
OE2
|
B:GLU52
|
3.9
|
24.9
|
1.0
|
|
CG
|
B:GLU56
|
4.0
|
21.3
|
0.7
|
|
HG2
|
B:GLU56
|
4.1
|
25.6
|
0.7
|
|
PA
|
B:6U4201
|
4.1
|
31.4
|
0.3
|
|
OE1
|
B:GLU56
|
4.1
|
22.3
|
0.3
|
|
H
|
B:GLY36
|
4.2
|
14.2
|
1.0
|
|
PA
|
B:6U4201
|
4.2
|
28.9
|
0.7
|
|
HB3
|
B:GLU52
|
4.3
|
18.6
|
1.0
|
|
O
|
B:HOH434
|
4.3
|
36.1
|
1.0
|
|
O5'
|
B:6U4201
|
4.6
|
21.0
|
0.3
|
|
CG
|
B:GLU52
|
4.6
|
17.4
|
1.0
|
|
CA
|
B:GLY36
|
4.6
|
11.9
|
1.0
|
|
H
|
B:LYS38
|
4.6
|
12.5
|
1.0
|
|
O3B
|
B:6U4201
|
4.7
|
39.9
|
0.7
|
|
HB2
|
B:GLU56
|
4.7
|
23.9
|
0.3
|
|
H
|
B:GLY37
|
4.7
|
12.6
|
1.0
|
|
HG3
|
B:GLU52
|
4.7
|
20.9
|
1.0
|
|
CD
|
B:GLU56
|
4.7
|
20.7
|
0.3
|
|
N
|
B:GLY36
|
4.8
|
11.9
|
1.0
|
|
C
|
B:GLY37
|
4.8
|
10.6
|
1.0
|
|
O5'
|
B:6U4201
|
4.9
|
21.7
|
0.7
|
|
HA2
|
B:GLY36
|
4.9
|
14.3
|
1.0
|
|
CB
|
B:GLU52
|
4.9
|
15.5
|
1.0
|
|
Sodium binding site 6 out
of 6 in 8i1e
Go back to
Sodium Binding Sites List in 8i1e
Sodium binding site 6 out
of 6 in the Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 6 of Crystal Structure of Human MTH1(G2K Mutant) in Complex with 2-Oxo-Datp at pH 8.0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na203
b:45.9
occ:0.59
|
NA
|
B:NA202
|
1.5
|
16.7
|
0.3
|
|
OE1
|
B:GLU52
|
2.2
|
22.4
|
1.0
|
|
O
|
B:HOH393
|
2.3
|
44.2
|
1.0
|
|
O2B
|
B:6U4201
|
2.5
|
42.5
|
0.7
|
|
OE2
|
B:GLU56
|
2.7
|
22.8
|
0.7
|
|
O
|
B:HOH306
|
2.8
|
39.9
|
1.0
|
|
O
|
B:HOH434
|
2.9
|
36.1
|
1.0
|
|
NA
|
B:NA202
|
3.0
|
19.4
|
0.7
|
|
CD
|
B:GLU52
|
3.1
|
20.5
|
1.0
|
|
OE2
|
B:GLU52
|
3.4
|
24.9
|
1.0
|
|
O
|
B:HOH358
|
3.4
|
53.9
|
1.0
|
|
HG3
|
B:GLU56
|
3.5
|
25.6
|
0.7
|
|
CD
|
B:GLU56
|
3.5
|
20.1
|
0.7
|
|
HA3
|
B:GLY37
|
3.6
|
13.3
|
1.0
|
|
HG2
|
B:GLU56
|
3.6
|
25.6
|
0.7
|
|
PB
|
B:6U4201
|
3.7
|
33.6
|
0.7
|
|
CG
|
B:GLU56
|
3.8
|
21.3
|
0.7
|
|
O
|
B:GLY36
|
3.8
|
14.1
|
1.0
|
|
O1B
|
B:6U4201
|
4.0
|
29.5
|
0.7
|
|
HB2
|
B:GLU56
|
4.5
|
23.9
|
0.3
|
|
HB3
|
B:GLU52
|
4.5
|
18.6
|
1.0
|
|
CA
|
B:GLY37
|
4.5
|
11.1
|
1.0
|
|
O1A
|
B:6U4201
|
4.5
|
29.0
|
0.3
|
|
OE1
|
B:GLU56
|
4.5
|
21.6
|
0.7
|
|
CG
|
B:GLU52
|
4.5
|
17.4
|
1.0
|
|
O1G
|
B:6U4201
|
4.5
|
52.8
|
0.7
|
|
C
|
B:GLY36
|
4.6
|
12.0
|
1.0
|
|
O3A
|
B:6U4201
|
4.7
|
33.5
|
0.7
|
|
O1A
|
B:6U4201
|
4.7
|
25.4
|
0.7
|
|
HA
|
B:GLU52
|
4.7
|
17.7
|
1.0
|
|
HA2
|
B:GLY37
|
4.8
|
13.3
|
1.0
|
|
OE1
|
B:GLU56
|
4.8
|
22.3
|
0.3
|
|
O
|
B:HOH326
|
4.8
|
25.7
|
1.0
|
|
O2A
|
B:6U4201
|
4.8
|
32.5
|
0.3
|
|
O
|
B:HOH383
|
4.8
|
37.3
|
1.0
|
|
HG3
|
B:GLU52
|
4.9
|
20.9
|
1.0
|
|
N
|
B:GLY37
|
4.9
|
10.5
|
1.0
|
|
HH12
|
B:ARG51
|
4.9
|
25.3
|
1.0
|
|
O3B
|
B:6U4201
|
4.9
|
39.9
|
0.7
|
|
CB
|
B:GLU52
|
5.0
|
15.5
|
1.0
|
|
Reference:
T.Nakamura,
Y.Koga-Ogawa,
K.Fujimiya,
M.Chirifu,
M.Goto,
S.Ikemizu,
Y.Nakabeppu,
Y.Yamagata.
Protonation States of Asp Residues in the Human Nudix Hydrolase MTH1 Contribute to Its Broad Substrate Recognition. Febs Lett. 2023.
ISSN: ISSN 0014-5793
PubMed: 36914375
DOI: 10.1002/1873-3468.14611
Page generated: Wed Oct 9 12:22:51 2024
|
