Iron in PDB 7a5y: Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg
Protein crystallography data
The structure of Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg, PDB code: 7a5y
was solved by
E.R.Morris,
S.Kunzelmann,
S.J.Caswell,
A.Purkiss,
I.A.Taylor,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
153.15 /
2.29
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
80.193,
181.263,
286.331,
90,
90,
90
|
R / Rfree (%)
|
21 /
24
|
Other elements in 7a5y:
The structure of Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg
(pdb code 7a5y). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg, PDB code: 7a5y:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 7a5y
Go back to
Iron Binding Sites List in 7a5y
Iron binding site 1 out
of 8 in the Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe701
b:21.5
occ:1.00
|
OD2
|
A:ASP207
|
2.0
|
21.5
|
1.0
|
O
|
A:HOH901
|
2.0
|
17.8
|
1.0
|
NE2
|
A:HIS167
|
2.1
|
16.9
|
1.0
|
NE2
|
A:HIS206
|
2.1
|
25.8
|
1.0
|
OD1
|
A:ASP311
|
2.1
|
21.2
|
1.0
|
S1A
|
A:T8T704
|
2.6
|
25.8
|
1.0
|
CE1
|
A:HIS167
|
3.0
|
17.4
|
1.0
|
CG
|
A:ASP311
|
3.0
|
21.0
|
1.0
|
CG
|
A:ASP207
|
3.0
|
22.6
|
1.0
|
CD2
|
A:HIS206
|
3.0
|
25.4
|
1.0
|
CD2
|
A:HIS167
|
3.2
|
17.0
|
1.0
|
CE1
|
A:HIS206
|
3.2
|
26.1
|
1.0
|
OD2
|
A:ASP311
|
3.3
|
21.5
|
1.0
|
OD1
|
A:ASP207
|
3.6
|
23.3
|
1.0
|
MG
|
A:MG702
|
3.8
|
22.8
|
1.0
|
PA
|
A:T8T704
|
3.9
|
25.9
|
1.0
|
NH2
|
A:ARG164
|
4.1
|
29.2
|
1.0
|
O2A
|
A:T8T704
|
4.1
|
26.2
|
1.0
|
ND1
|
A:HIS167
|
4.2
|
16.8
|
1.0
|
CB
|
A:ASP207
|
4.2
|
22.6
|
1.0
|
O3A
|
A:T8T704
|
4.2
|
24.9
|
1.0
|
CG
|
A:HIS206
|
4.2
|
24.7
|
1.0
|
ND1
|
A:HIS206
|
4.3
|
24.8
|
1.0
|
CG
|
A:HIS167
|
4.3
|
16.9
|
1.0
|
CB
|
A:ASP311
|
4.4
|
20.6
|
1.0
|
CG2
|
A:VAL171
|
4.6
|
19.0
|
1.0
|
O
|
A:HOH930
|
4.8
|
22.1
|
1.0
|
NE2
|
A:GLN149
|
4.9
|
19.8
|
1.0
|
O
|
A:HOH905
|
5.0
|
18.0
|
1.0
|
|
Iron binding site 2 out
of 8 in 7a5y
Go back to
Iron Binding Sites List in 7a5y
Iron binding site 2 out
of 8 in the Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe703
b:18.9
occ:1.00
|
OD2
|
B:ASP207
|
2.0
|
17.4
|
1.0
|
NE2
|
B:HIS206
|
2.0
|
14.6
|
1.0
|
NE2
|
B:HIS167
|
2.1
|
19.0
|
1.0
|
O
|
B:HOH809
|
2.2
|
8.4
|
1.0
|
OD1
|
B:ASP311
|
2.2
|
19.4
|
1.0
|
S1A
|
B:T8T706
|
2.5
|
20.1
|
1.0
|
CD2
|
B:HIS206
|
2.9
|
15.7
|
1.0
|
CG
|
B:ASP207
|
3.0
|
18.2
|
1.0
|
CG
|
B:ASP311
|
3.1
|
20.7
|
1.0
|
CE1
|
B:HIS167
|
3.1
|
20.8
|
1.0
|
CE1
|
B:HIS206
|
3.1
|
14.5
|
1.0
|
CD2
|
B:HIS167
|
3.2
|
19.9
|
1.0
|
OD2
|
B:ASP311
|
3.3
|
21.4
|
1.0
|
OD1
|
B:ASP207
|
3.5
|
19.2
|
1.0
|
MG
|
B:MG704
|
3.7
|
32.1
|
1.0
|
PA
|
B:T8T706
|
3.8
|
22.5
|
1.0
|
O2A
|
B:T8T706
|
4.1
|
23.1
|
1.0
|
CB
|
B:ASP207
|
4.1
|
18.2
|
1.0
|
NH1
|
B:ARG164
|
4.1
|
23.9
|
1.0
|
CG
|
B:HIS206
|
4.1
|
16.5
|
1.0
|
ND1
|
B:HIS206
|
4.2
|
15.6
|
1.0
|
O3A
|
B:T8T706
|
4.2
|
22.5
|
1.0
|
ND1
|
B:HIS167
|
4.2
|
20.2
|
1.0
|
CG
|
B:HIS167
|
4.3
|
19.0
|
1.0
|
CB
|
B:ASP311
|
4.4
|
21.9
|
1.0
|
CG2
|
B:VAL171
|
4.6
|
20.5
|
1.0
|
O
|
B:HOH815
|
5.0
|
13.4
|
1.0
|
|
Iron binding site 3 out
of 8 in 7a5y
Go back to
Iron Binding Sites List in 7a5y
Iron binding site 3 out
of 8 in the Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe702
b:23.6
occ:1.00
|
OD2
|
C:ASP207
|
2.0
|
21.0
|
1.0
|
OD1
|
C:ASP311
|
2.1
|
19.6
|
1.0
|
NE2
|
C:HIS206
|
2.1
|
21.6
|
1.0
|
O
|
C:HOH901
|
2.1
|
17.4
|
1.0
|
NE2
|
C:HIS167
|
2.2
|
19.4
|
1.0
|
S1A
|
C:T8T705
|
2.5
|
26.6
|
1.0
|
CG
|
C:ASP311
|
3.0
|
20.0
|
1.0
|
CD2
|
C:HIS206
|
3.0
|
21.9
|
1.0
|
CG
|
C:ASP207
|
3.0
|
21.0
|
1.0
|
CE1
|
C:HIS167
|
3.1
|
19.4
|
1.0
|
CE1
|
C:HIS206
|
3.2
|
21.3
|
1.0
|
OD2
|
C:ASP311
|
3.3
|
21.1
|
1.0
|
CD2
|
C:HIS167
|
3.3
|
19.7
|
1.0
|
OD1
|
C:ASP207
|
3.5
|
22.3
|
1.0
|
MG
|
C:MG703
|
3.8
|
23.1
|
1.0
|
PA
|
C:T8T705
|
3.8
|
28.6
|
1.0
|
O2A
|
C:T8T705
|
4.1
|
27.8
|
1.0
|
O3A
|
C:T8T705
|
4.1
|
25.5
|
1.0
|
NH2
|
C:ARG164
|
4.1
|
28.3
|
1.0
|
CG
|
C:HIS206
|
4.2
|
22.2
|
1.0
|
CB
|
C:ASP207
|
4.2
|
21.4
|
1.0
|
ND1
|
C:HIS206
|
4.2
|
22.1
|
1.0
|
ND1
|
C:HIS167
|
4.3
|
18.8
|
1.0
|
CB
|
C:ASP311
|
4.3
|
20.4
|
1.0
|
CG
|
C:HIS167
|
4.4
|
19.1
|
1.0
|
CG2
|
C:VAL171
|
4.6
|
24.3
|
1.0
|
O
|
C:HOH907
|
4.9
|
29.5
|
1.0
|
O
|
C:HOH917
|
4.9
|
17.1
|
1.0
|
CA
|
C:ASP311
|
5.0
|
20.4
|
1.0
|
|
Iron binding site 4 out
of 8 in 7a5y
Go back to
Iron Binding Sites List in 7a5y
Iron binding site 4 out
of 8 in the Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe703
b:22.2
occ:1.00
|
O
|
D:HOH802
|
1.9
|
13.3
|
1.0
|
OD2
|
D:ASP207
|
2.0
|
24.1
|
1.0
|
NE2
|
D:HIS206
|
2.1
|
22.3
|
1.0
|
OD1
|
D:ASP311
|
2.1
|
23.6
|
1.0
|
NE2
|
D:HIS167
|
2.1
|
15.1
|
1.0
|
S1A
|
D:T8T706
|
2.5
|
21.8
|
1.0
|
CD2
|
D:HIS206
|
3.0
|
22.8
|
1.0
|
CG
|
D:ASP311
|
3.0
|
23.6
|
1.0
|
CE1
|
D:HIS167
|
3.0
|
15.1
|
1.0
|
CG
|
D:ASP207
|
3.0
|
24.6
|
1.0
|
CE1
|
D:HIS206
|
3.1
|
22.4
|
1.0
|
CD2
|
D:HIS167
|
3.2
|
15.4
|
1.0
|
OD2
|
D:ASP311
|
3.3
|
25.4
|
1.0
|
OD1
|
D:ASP207
|
3.5
|
26.8
|
1.0
|
MG
|
D:MG704
|
3.7
|
26.8
|
1.0
|
PA
|
D:T8T706
|
3.8
|
22.6
|
1.0
|
O2A
|
D:T8T706
|
3.9
|
22.4
|
1.0
|
NH2
|
D:ARG164
|
4.1
|
31.6
|
1.0
|
CG
|
D:HIS206
|
4.2
|
22.6
|
1.0
|
CB
|
D:ASP207
|
4.2
|
23.5
|
1.0
|
ND1
|
D:HIS167
|
4.2
|
15.3
|
1.0
|
ND1
|
D:HIS206
|
4.2
|
21.4
|
1.0
|
O3A
|
D:T8T706
|
4.3
|
21.7
|
1.0
|
CG
|
D:HIS167
|
4.3
|
15.5
|
1.0
|
CB
|
D:ASP311
|
4.4
|
22.8
|
1.0
|
CG2
|
D:VAL171
|
4.6
|
19.5
|
1.0
|
O
|
D:HOH825
|
4.8
|
26.6
|
1.0
|
O
|
D:HOH816
|
4.9
|
26.6
|
1.0
|
|
Iron binding site 5 out
of 8 in 7a5y
Go back to
Iron Binding Sites List in 7a5y
Iron binding site 5 out
of 8 in the Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe701
b:18.1
occ:1.00
|
O
|
E:HOH802
|
1.9
|
16.3
|
1.0
|
OD2
|
E:ASP207
|
2.0
|
19.7
|
1.0
|
NE2
|
E:HIS206
|
2.1
|
20.3
|
1.0
|
NE2
|
E:HIS167
|
2.1
|
20.4
|
1.0
|
OD1
|
E:ASP311
|
2.1
|
22.7
|
1.0
|
S1A
|
E:T8T705
|
2.5
|
25.3
|
1.0
|
CD2
|
E:HIS206
|
3.0
|
21.1
|
1.0
|
CE1
|
E:HIS167
|
3.0
|
21.0
|
1.0
|
CG
|
E:ASP311
|
3.0
|
22.7
|
1.0
|
CG
|
E:ASP207
|
3.0
|
20.2
|
1.0
|
CE1
|
E:HIS206
|
3.1
|
19.9
|
1.0
|
CD2
|
E:HIS167
|
3.1
|
20.7
|
1.0
|
OD2
|
E:ASP311
|
3.3
|
22.6
|
1.0
|
OD1
|
E:ASP207
|
3.5
|
20.5
|
1.0
|
PA
|
E:T8T705
|
3.8
|
25.6
|
1.0
|
MG
|
E:MG702
|
3.8
|
24.5
|
1.0
|
O2A
|
E:T8T705
|
4.1
|
25.7
|
1.0
|
NH2
|
E:ARG164
|
4.1
|
24.2
|
1.0
|
CG
|
E:HIS206
|
4.1
|
21.4
|
1.0
|
ND1
|
E:HIS167
|
4.2
|
19.6
|
1.0
|
ND1
|
E:HIS206
|
4.2
|
20.6
|
1.0
|
CB
|
E:ASP207
|
4.2
|
20.3
|
1.0
|
CG
|
E:HIS167
|
4.2
|
20.0
|
1.0
|
CB
|
E:ASP311
|
4.4
|
21.5
|
1.0
|
O3A
|
E:T8T705
|
4.4
|
24.5
|
1.0
|
CG2
|
E:VAL171
|
4.5
|
24.5
|
1.0
|
NE2
|
E:GLN149
|
5.0
|
23.7
|
1.0
|
CA
|
E:ASP311
|
5.0
|
20.6
|
1.0
|
|
Iron binding site 6 out
of 8 in 7a5y
Go back to
Iron Binding Sites List in 7a5y
Iron binding site 6 out
of 8 in the Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe703
b:18.0
occ:1.00
|
OD2
|
F:ASP207
|
1.9
|
19.9
|
1.0
|
NE2
|
F:HIS206
|
2.0
|
16.6
|
1.0
|
O
|
F:HOH803
|
2.1
|
7.8
|
1.0
|
NE2
|
F:HIS167
|
2.1
|
18.7
|
1.0
|
OD1
|
F:ASP311
|
2.2
|
24.8
|
1.0
|
S1A
|
F:T8T707
|
2.5
|
20.1
|
1.0
|
CD2
|
F:HIS206
|
2.9
|
17.5
|
1.0
|
CG
|
F:ASP207
|
3.0
|
20.8
|
1.0
|
CE1
|
F:HIS167
|
3.1
|
19.8
|
1.0
|
CG
|
F:ASP311
|
3.1
|
23.9
|
1.0
|
CE1
|
F:HIS206
|
3.1
|
16.3
|
1.0
|
CD2
|
F:HIS167
|
3.2
|
19.1
|
1.0
|
OD2
|
F:ASP311
|
3.3
|
25.8
|
1.0
|
OD1
|
F:ASP207
|
3.5
|
22.7
|
1.0
|
MG
|
F:MG704
|
3.7
|
33.9
|
1.0
|
PA
|
F:T8T707
|
3.7
|
24.6
|
1.0
|
O2A
|
F:T8T707
|
3.9
|
25.6
|
1.0
|
NH2
|
F:ARG164
|
4.1
|
29.1
|
1.0
|
CG
|
F:HIS206
|
4.1
|
18.4
|
1.0
|
CB
|
F:ASP207
|
4.1
|
20.4
|
1.0
|
ND1
|
F:HIS206
|
4.2
|
17.0
|
1.0
|
O3A
|
F:T8T707
|
4.2
|
25.1
|
1.0
|
ND1
|
F:HIS167
|
4.2
|
19.1
|
1.0
|
CG
|
F:HIS167
|
4.3
|
18.6
|
1.0
|
CB
|
F:ASP311
|
4.4
|
23.6
|
1.0
|
CG2
|
F:VAL171
|
4.6
|
21.2
|
1.0
|
O
|
F:HOH818
|
4.8
|
34.3
|
1.0
|
O
|
F:HOH815
|
4.9
|
19.0
|
1.0
|
|
Iron binding site 7 out
of 8 in 7a5y
Go back to
Iron Binding Sites List in 7a5y
Iron binding site 7 out
of 8 in the Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe701
b:23.8
occ:1.00
|
OD2
|
G:ASP207
|
2.0
|
27.2
|
1.0
|
O
|
G:HOH802
|
2.0
|
5.5
|
1.0
|
NE2
|
G:HIS206
|
2.1
|
25.9
|
1.0
|
NE2
|
G:HIS167
|
2.1
|
23.5
|
1.0
|
OD1
|
G:ASP311
|
2.2
|
24.1
|
1.0
|
S1A
|
G:T8T704
|
2.5
|
31.5
|
1.0
|
CG
|
G:ASP207
|
3.0
|
26.7
|
1.0
|
CE1
|
G:HIS167
|
3.0
|
23.8
|
1.0
|
CD2
|
G:HIS206
|
3.0
|
26.2
|
1.0
|
CG
|
G:ASP311
|
3.1
|
25.2
|
1.0
|
CE1
|
G:HIS206
|
3.1
|
25.2
|
1.0
|
CD2
|
G:HIS167
|
3.1
|
23.5
|
1.0
|
OD2
|
G:ASP311
|
3.3
|
27.7
|
1.0
|
OD1
|
G:ASP207
|
3.5
|
27.8
|
1.0
|
MG
|
G:MG702
|
3.7
|
30.3
|
1.0
|
PA
|
G:T8T704
|
3.8
|
31.5
|
1.0
|
NH2
|
G:ARG164
|
4.1
|
30.9
|
1.0
|
O2A
|
G:T8T704
|
4.1
|
32.8
|
1.0
|
CB
|
G:ASP207
|
4.1
|
27.0
|
1.0
|
ND1
|
G:HIS167
|
4.1
|
22.8
|
1.0
|
CG
|
G:HIS206
|
4.2
|
26.8
|
1.0
|
ND1
|
G:HIS206
|
4.2
|
26.0
|
1.0
|
CG
|
G:HIS167
|
4.2
|
22.1
|
1.0
|
O3A
|
G:T8T704
|
4.3
|
31.8
|
1.0
|
CB
|
G:ASP311
|
4.4
|
24.7
|
1.0
|
CG2
|
G:VAL171
|
4.6
|
27.9
|
1.0
|
O
|
G:HOH823
|
4.9
|
16.3
|
1.0
|
NE2
|
G:GLN149
|
5.0
|
24.2
|
1.0
|
|
Iron binding site 8 out
of 8 in 7a5y
Go back to
Iron Binding Sites List in 7a5y
Iron binding site 8 out
of 8 in the Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Crystal Structure of Tetrameric Human H215A-SAMHD1 (Residues 109-626) with Rp-Dgtp-Alphas (T8T) and Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe703
b:23.2
occ:1.00
|
OD2
|
H:ASP207
|
2.0
|
20.4
|
1.0
|
NE2
|
H:HIS167
|
2.1
|
20.6
|
1.0
|
NE2
|
H:HIS206
|
2.1
|
21.9
|
1.0
|
OD1
|
H:ASP311
|
2.1
|
20.1
|
1.0
|
O
|
H:HOH802
|
2.3
|
18.3
|
1.0
|
S1A
|
H:T8T706
|
2.6
|
24.8
|
1.0
|
CE1
|
H:HIS167
|
3.0
|
20.6
|
1.0
|
CG
|
H:ASP311
|
3.0
|
21.7
|
1.0
|
CG
|
H:ASP207
|
3.0
|
21.9
|
1.0
|
CD2
|
H:HIS206
|
3.0
|
21.6
|
1.0
|
CD2
|
H:HIS167
|
3.2
|
19.6
|
1.0
|
CE1
|
H:HIS206
|
3.2
|
21.6
|
1.0
|
OD2
|
H:ASP311
|
3.2
|
23.1
|
1.0
|
OD1
|
H:ASP207
|
3.5
|
23.1
|
1.0
|
PA
|
H:T8T706
|
3.8
|
24.6
|
1.0
|
MG
|
H:MG704
|
3.9
|
21.9
|
1.0
|
O2A
|
H:T8T706
|
3.9
|
25.1
|
1.0
|
NH2
|
H:ARG164
|
4.1
|
27.5
|
1.0
|
ND1
|
H:HIS167
|
4.1
|
19.8
|
1.0
|
CB
|
H:ASP207
|
4.2
|
21.4
|
1.0
|
O3A
|
H:T8T706
|
4.2
|
24.4
|
1.0
|
CG
|
H:HIS206
|
4.2
|
21.6
|
1.0
|
ND1
|
H:HIS206
|
4.2
|
21.9
|
1.0
|
CG
|
H:HIS167
|
4.3
|
19.2
|
1.0
|
CB
|
H:ASP311
|
4.4
|
21.5
|
1.0
|
CG2
|
H:VAL171
|
4.6
|
19.9
|
1.0
|
O
|
H:HOH824
|
4.9
|
15.8
|
1.0
|
O
|
H:HOH815
|
4.9
|
23.6
|
1.0
|
NE2
|
H:GLN149
|
5.0
|
28.5
|
1.0
|
|
Reference:
E.R.Morris,
S.Kunzelmann,
S.J.Caswell,
A.G.Purkiss,
G.Kelly,
I.A.Taylor.
Probing the Catalytic Mechanism and Inhibition of SAMHD1 Using the Differential Properties of R P - and S P -Dntp Alpha S Diastereomers. Biochemistry 2021.
ISSN: ISSN 0006-2960
PubMed: 33988981
DOI: 10.1021/ACS.BIOCHEM.0C00944
Page generated: Wed Aug 7 21:46:31 2024
|