Magnesium »
PDB 6dw5-6e80 »
6dwj »
Magnesium in PDB 6dwj: SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket
Protein crystallography data
The structure of SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket, PDB code: 6dwj
was solved by
K.M.Knecht,
O.Buzovetsky,
C.Schneider,
D.Thomas,
V.Srikanth,
L.Kaderali,
F.Tofoleanu,
K.Reiss,
N.Ferreiros,
G.Geisslinger,
V.S.Batista,
X.Ji,
J.Cinatl,
O.T.Keppler,
Y.Xiong,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 50.00 / 2.50 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 86.862, 146.724, 99.594, 90.00, 114.45, 90.00 |
| R / Rfree (%) | 17.5 / 20.8 |
Other elements in 6dwj:
The structure of SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket also contains other interesting chemical elements:
| Sodium | (Na) | 17 atoms |
Magnesium Binding Sites:
The binding sites of Magnesium atom in the SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket
(pdb code 6dwj). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 10 binding sites of Magnesium where determined in the SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket, PDB code: 6dwj:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;
In total 10 binding sites of Magnesium where determined in the SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket, PDB code: 6dwj:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;
Magnesium binding site 1 out of 10 in 6dwj
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Magnesium Binding Sites List in 6dwj
Magnesium binding site 1 out
of 10 in the SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket within 5.0Å range:
|
Magnesium binding site 2 out of 10 in 6dwj
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Magnesium Binding Sites List in 6dwj
Magnesium binding site 2 out
of 10 in the SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket within 5.0Å range:
|
Magnesium binding site 3 out of 10 in 6dwj
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Magnesium Binding Sites List in 6dwj
Magnesium binding site 3 out
of 10 in the SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket within 5.0Å range:
|
Magnesium binding site 4 out of 10 in 6dwj
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Magnesium Binding Sites List in 6dwj
Magnesium binding site 4 out
of 10 in the SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket within 5.0Å range:
|
Magnesium binding site 5 out of 10 in 6dwj
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Magnesium Binding Sites List in 6dwj
Magnesium binding site 5 out
of 10 in the SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket within 5.0Å range:
|
Magnesium binding site 6 out of 10 in 6dwj
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Magnesium Binding Sites List in 6dwj
Magnesium binding site 6 out
of 10 in the SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket within 5.0Å range:
|
Magnesium binding site 7 out of 10 in 6dwj
Go back to
Magnesium Binding Sites List in 6dwj
Magnesium binding site 7 out
of 10 in the SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket within 5.0Å range:
|
Magnesium binding site 8 out of 10 in 6dwj
Go back to
Magnesium Binding Sites List in 6dwj
Magnesium binding site 8 out
of 10 in the SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket within 5.0Å range:
|
Magnesium binding site 9 out of 10 in 6dwj
Go back to
Magnesium Binding Sites List in 6dwj
Magnesium binding site 9 out
of 10 in the SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket within 5.0Å range:
|
Magnesium binding site 10 out of 10 in 6dwj
Go back to
Magnesium Binding Sites List in 6dwj
Magnesium binding site 10 out
of 10 in the SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of SAMHD1 Bound to Vidarabine-Tp in the Catalytic Pocket within 5.0Å range:
|
Reference:
K.M.Knecht,
O.Buzovetsky,
C.Schneider,
D.Thomas,
V.Srikanth,
L.Kaderali,
F.Tofoleanu,
K.Reiss,
N.Ferreiros,
G.Geisslinger,
V.S.Batista,
X.Ji,
J.Cinatl Jr.,
O.T.Keppler,
Y.Xiong.
The Structural Basis For Cancer Drug Interactions with the Catalytic and Allosteric Sites of SAMHD1. Proc. Natl. Acad. Sci. V. 115 10022 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30305425
DOI: 10.1073/PNAS.1805593115
Page generated: Mon Sep 30 23:42:57 2024
ISSN: ESSN 1091-6490
PubMed: 30305425
DOI: 10.1073/PNAS.1805593115
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