Atomistry » Magnesium » PDB 7ljl-7lwb » 7ltt
Atomistry »
  Magnesium »
    PDB 7ljl-7lwb »
      7ltt »

Magnesium in PDB 7ltt: SAMHD1(113-626) H206R D207N R366C

Protein crystallography data

The structure of SAMHD1(113-626) H206R D207N R366C, PDB code: 7ltt was solved by J.T.Temple, N.E.Bowen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.38 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 80.926, 140.105, 97.193, 90, 114.18, 90
R / Rfree (%) 17.8 / 21.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the SAMHD1(113-626) H206R D207N R366C (pdb code 7ltt). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the SAMHD1(113-626) H206R D207N R366C, PDB code: 7ltt:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 7ltt

Go back to Magnesium Binding Sites List in 7ltt
Magnesium binding site 1 out of 4 in the SAMHD1(113-626) H206R D207N R366C


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of SAMHD1(113-626) H206R D207N R366C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg703

b:28.2
occ:1.00
O3G A:DGT704 1.9 27.2 1.0
O3G B:DGT703 2.0 27.1 1.0
O2B A:DGT704 2.0 28.9 1.0
O1B B:DGT703 2.1 26.7 1.0
O A:HOH858 2.1 27.1 1.0
O2A A:DGT704 2.1 26.5 1.0
PB A:DGT704 3.1 30.6 1.0
PG A:DGT704 3.1 30.8 1.0
O3B A:DGT704 3.3 29.6 1.0
PB B:DGT703 3.3 26.7 1.0
PG B:DGT703 3.3 30.6 1.0
PA A:DGT704 3.4 27.0 1.0
O3A A:DGT704 3.6 29.0 1.0
O3B B:DGT703 3.7 28.2 1.0
NZ A:LYS116 3.8 40.6 1.0
O1G A:DGT704 4.0 34.8 1.0
O3' A:DGT704 4.0 25.9 1.0
NZ B:LYS523 4.0 49.6 1.0
O2G A:DGT704 4.1 32.8 1.0
O1G B:DGT703 4.1 29.6 1.0
O2B B:DGT703 4.2 26.4 1.0
O B:HOH862 4.2 46.8 1.0
O A:HOH890 4.3 55.1 1.0
C5' A:DGT704 4.3 26.0 1.0
O5' A:DGT704 4.3 25.0 1.0
O2G B:DGT703 4.4 31.3 1.0
O1B A:DGT704 4.5 31.9 1.0
O3A B:DGT703 4.5 26.4 1.0
C3' A:DGT704 4.6 26.1 1.0
O1A A:DGT704 4.6 28.6 1.0
O A:HOH840 4.7 29.3 1.0
O B:HOH802 4.8 68.8 1.0
C4' A:DGT704 5.0 26.4 1.0
CE A:LYS116 5.0 40.8 1.0

Magnesium binding site 2 out of 4 in 7ltt

Go back to Magnesium Binding Sites List in 7ltt
Magnesium binding site 2 out of 4 in the SAMHD1(113-626) H206R D207N R366C


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of SAMHD1(113-626) H206R D207N R366C within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg701

b:33.8
occ:1.00
O3G A:DGT702 1.9 33.1 1.0
O1B B:DGT702 2.0 34.5 1.0
O B:HOH853 2.0 32.7 1.0
O1B A:DGT702 2.0 30.5 1.0
O2G B:DGT702 2.1 36.6 1.0
O2A B:DGT702 2.1 32.9 1.0
PB B:DGT702 3.2 39.4 1.0
PG B:DGT702 3.2 38.8 1.0
PB A:DGT702 3.3 31.0 1.0
PG A:DGT702 3.3 34.8 1.0
PA B:DGT702 3.4 35.4 1.0
O3B B:DGT702 3.4 36.4 1.0
O3B A:DGT702 3.6 35.5 1.0
O3A B:DGT702 3.6 36.0 1.0
NZ B:LYS116 3.7 45.3 1.0
O3' B:DGT702 3.9 33.4 1.0
O1G A:DGT702 4.0 33.3 1.0
O3G B:DGT702 4.1 38.8 1.0
C5' B:DGT702 4.2 34.2 1.0
O2B A:DGT702 4.2 30.6 1.0
NZ A:LYS523 4.2 54.4 1.0
O B:HOH842 4.2 48.7 1.0
O5' B:DGT702 4.2 35.7 1.0
O1G B:DGT702 4.3 43.2 1.0
O3A A:DGT702 4.4 32.6 1.0
O B:HOH814 4.4 26.9 1.0
O2G A:DGT702 4.5 36.0 1.0
C3' B:DGT702 4.5 31.9 1.0
O2B B:DGT702 4.5 36.7 1.0
O1A B:DGT702 4.6 35.3 1.0
C4' B:DGT702 4.8 33.1 1.0
CE B:LYS116 4.9 44.0 1.0

Magnesium binding site 3 out of 4 in 7ltt

Go back to Magnesium Binding Sites List in 7ltt
Magnesium binding site 3 out of 4 in the SAMHD1(113-626) H206R D207N R366C


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of SAMHD1(113-626) H206R D207N R366C within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg702

b:25.8
occ:1.00
O3G A:DGT701 2.0 30.1 1.0
O2B A:DGT701 2.0 26.3 1.0
O A:HOH862 2.1 23.7 1.0
O2B C:DGT701 2.1 24.6 1.0
O2A A:DGT701 2.1 25.3 1.0
O2G C:DGT701 2.3 25.9 1.0
PB A:DGT701 3.2 30.3 1.0
PG A:DGT701 3.3 31.0 1.0
PB C:DGT701 3.3 25.4 1.0
PA A:DGT701 3.4 25.9 1.0
O3B A:DGT701 3.4 29.1 1.0
PG C:DGT701 3.5 27.7 1.0
O3A A:DGT701 3.6 28.4 1.0
O3B C:DGT701 3.7 24.5 1.0
NZ D:LYS116 3.8 31.8 1.0
O3' A:DGT701 3.8 24.1 1.0
O C:HOH884 3.9 54.2 1.0
NZ C:LYS523 4.0 56.8 1.0
O1B C:DGT701 4.1 24.1 1.0
O3G C:DGT701 4.2 26.4 1.0
O1G A:DGT701 4.2 31.8 1.0
C5' A:DGT701 4.2 24.5 1.0
O5' A:DGT701 4.2 24.4 1.0
O2G A:DGT701 4.3 33.0 1.0
C3' A:DGT701 4.5 23.4 1.0
O A:HOH864 4.5 23.9 1.0
O1B A:DGT701 4.5 30.7 1.0
O3A C:DGT701 4.5 24.7 1.0
O A:HOH914 4.5 62.8 1.0
O1A A:DGT701 4.6 27.4 1.0
O1G C:DGT701 4.7 27.4 1.0
C4' A:DGT701 4.8 23.1 1.0
CE C:LYS523 4.9 56.1 1.0
CE D:LYS116 4.9 32.1 1.0

Magnesium binding site 4 out of 4 in 7ltt

Go back to Magnesium Binding Sites List in 7ltt
Magnesium binding site 4 out of 4 in the SAMHD1(113-626) H206R D207N R366C


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of SAMHD1(113-626) H206R D207N R366C within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg703

b:41.5
occ:1.00
O1G C:DGT704 1.9 44.7 1.0
O2B D:DGT800 2.0 37.3 1.0
O2G D:DGT800 2.0 41.0 1.0
O C:HOH866 2.1 35.4 1.0
O1B C:DGT704 2.1 42.0 1.0
O1A C:DGT704 2.1 39.1 1.0
PB C:DGT704 3.2 49.3 1.0
PG C:DGT704 3.2 47.1 1.0
PB D:DGT800 3.3 36.0 1.0
PG D:DGT800 3.3 42.3 1.0
O3B C:DGT704 3.4 43.8 1.0
PA C:DGT704 3.5 42.2 1.0
NZ C:LYS116 3.5 53.3 1.0
O3B D:DGT800 3.5 41.7 1.0
O3A C:DGT704 3.6 43.5 1.0
NZ D:LYS523 3.8 56.6 1.0
O3' C:DGT704 4.0 37.7 1.0
O3G D:DGT800 4.1 45.8 1.0
O2G C:DGT704 4.2 50.0 1.0
O3G C:DGT704 4.2 43.4 1.0
O1B D:DGT800 4.2 35.0 1.0
C5' C:DGT704 4.3 40.3 1.0
O5' C:DGT704 4.4 41.3 1.0
O1G D:DGT800 4.4 44.9 1.0
O3A D:DGT800 4.4 37.6 1.0
O C:HOH904 4.5 54.8 1.0
O2B C:DGT704 4.5 46.8 1.0
O C:HOH844 4.6 36.7 1.0
C3' C:DGT704 4.6 35.9 1.0
O2A C:DGT704 4.6 40.3 1.0
CE C:LYS116 4.9 51.1 1.0
C4' C:DGT704 4.9 37.4 1.0
NZ B:LYS377 5.0 78.1 1.0
CE D:LYS523 5.0 57.8 1.0

Reference:

N.E.Bowen, J.Temple, C.Shepard, A.Oo, F.Arizaga, P.Kapoor-Vazirani, M.Persaud, C.H.Yu, D.H.Kim, R.F.Schinazi, D.N.Ivanov, F.Diaz-Griffero, D.S.Yu, Y.Xiong, B.Kim. Structural and Functional Characterization Explains Loss of Dntpase Activity of the Cancer-Specific R366C/H Mutant SAMHD1 Proteins. J.Biol.Chem. V. 297 01170 2021.
ISSN: ESSN 1083-351X
PubMed: 34492268
DOI: 10.1016/J.JBC.2021.101170
Page generated: Wed Oct 2 23:33:55 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy