Iron in PDB 8qxn: Cryo-Em Structure of Tetrameric Human SAMHD1 State IV - Depleted Relaxed

The structure of Cryo-Em Structure of Tetrameric Human SAMHD1 State IV - Depleted Relaxed also contains other interesting chemical elements:

Magnesium

(Mg)

8 atoms

The binding sites of Iron atom in the Cryo-Em Structure of Tetrameric Human SAMHD1 State IV - Depleted Relaxed (pdb code 8qxn). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Cryo-Em Structure of Tetrameric Human SAMHD1 State IV - Depleted Relaxed, PDB code: 8qxn:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State IV - Depleted Relaxed


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cryo-Em Structure of Tetrameric Human SAMHD1 State IV - Depleted Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:31.9 occ:1.00 OD2 A:ASP207 1.9 28.6 1.0 NE2 A:HIS167 2.0 24.2 1.0 NE2 A:HIS206 2.1 27.8 1.0 OD2 A:ASP311 2.3 38.1 1.0 CE1 A:HIS167 2.6 24.2 1.0 OD1 A:ASP311 2.6 38.1 1.0 CG A:ASP311 2.7 38.1 1.0 OH A:TYR315 3.0 35.6 1.0 CG A:ASP207 3.1 28.6 1.0 CE1 A:HIS206 3.1 27.8 1.0 CD2 A:HIS206 3.1 27.8 1.0 CD2 A:HIS167 3.3 24.2 1.0 CZ A:TYR315 3.4 35.6 1.0 CE1 A:TYR315 3.6 35.6 1.0 OD1 A:ASP207 3.6 28.6 1.0 ND1 A:HIS167 3.8 24.2 1.0 NH2 A:ARG164 4.1 25.3 1.0 CB A:ASP311 4.2 38.1 1.0 ND1 A:HIS206 4.2 27.8 1.0 CG A:HIS167 4.2 24.2 1.0 CB A:ASP207 4.2 28.6 1.0 CG A:HIS206 4.2 27.8 1.0 CE2 A:TYR315 4.4 35.6 1.0 CD1 A:TYR315 4.6 35.6 1.0 MG A:MG703 4.6 21.0 1.0 CG2 A:VAL171 4.7 29.6 1.0 CA A:ASP311 4.9 38.1 1.0

Iron binding site 2 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State IV - Depleted Relaxed


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cryo-Em Structure of Tetrameric Human SAMHD1 State IV - Depleted Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe702 b:23.5 occ:1.00 OD2 B:ASP207 1.9 21.2 1.0 NE2 B:HIS206 2.1 20.2 1.0 NE2 B:HIS167 2.2 19.1 1.0 OD2 B:ASP311 2.7 21.1 1.0 OD1 B:ASP311 2.8 21.1 1.0 CG B:ASP207 3.0 21.2 1.0 CD2 B:HIS206 3.0 20.2 1.0 CD2 B:HIS167 3.1 19.1 1.0 CG B:ASP311 3.1 21.1 1.0 CE1 B:HIS206 3.1 20.2 1.0 CE1 B:HIS167 3.2 19.1 1.0 OD1 B:ASP207 3.5 21.2 1.0 O2A B:DCP705 3.5 26.2 1.0 O1A B:DCP705 3.6 26.2 1.0 PA B:DCP705 4.2 26.2 1.0 ND1 B:HIS206 4.2 20.2 1.0 CG B:HIS206 4.2 20.2 1.0 NH2 B:ARG164 4.2 21.6 1.0 CG B:HIS167 4.2 19.1 1.0 CB B:ASP207 4.3 21.2 1.0 ND1 B:HIS167 4.3 19.1 1.0 CB B:ASP311 4.5 21.1 1.0 CG2 B:VAL171 4.8 20.6 1.0 MG B:MG703 4.9 18.1 1.0

Iron binding site 3 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State IV - Depleted Relaxed


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cryo-Em Structure of Tetrameric Human SAMHD1 State IV - Depleted Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe702 b:28.5 occ:1.00 OD2 C:ASP207 2.0 26.4 1.0 NE2 C:HIS167 2.1 24.8 1.0 NE2 C:HIS206 2.1 24.7 1.0 OH C:TYR315 2.4 32.2 1.0 OD1 C:ASP311 2.8 33.6 1.0 CE1 C:HIS206 2.9 24.7 1.0 CG C:ASP207 2.9 26.4 1.0 CD2 C:HIS167 2.9 24.8 1.0 OD1 C:ASP207 3.1 26.4 1.0 CE1 C:HIS167 3.2 24.8 1.0 CD2 C:HIS206 3.2 24.7 1.0 CZ C:TYR315 3.2 32.2 1.0 MG C:MG703 3.4 19.5 1.0 CE2 C:TYR315 3.8 32.2 1.0 NH2 C:ARG164 4.0 25.6 1.0 CG C:ASP311 4.0 33.6 1.0 ND1 C:HIS206 4.0 24.7 1.0 CE1 C:TYR315 4.0 32.2 1.0 CG C:HIS167 4.1 24.8 1.0 CG C:HIS206 4.2 24.7 1.0 ND1 C:HIS167 4.2 24.8 1.0 CB C:ASP207 4.3 26.4 1.0 OD2 C:ASP311 4.6 33.6 1.0 CG2 C:VAL171 5.0 26.5 1.0 CD2 C:TYR315 5.0 32.2 1.0

Iron binding site 4 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State IV - Depleted Relaxed


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cryo-Em Structure of Tetrameric Human SAMHD1 State IV - Depleted Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe705 b:33.1 occ:1.00 O2A D:DCP708 2.0 28.2 1.0 OD2 D:ASP207 2.0 23.9 1.0 NE2 D:HIS206 2.3 21.1 1.0 NE2 D:HIS167 2.4 33.0 1.0 CD2 D:HIS206 2.9 21.1 1.0 OD1 D:ASP311 3.0 23.6 1.0 OD2 D:ASP311 3.1 23.6 1.0 CG D:ASP207 3.1 23.9 1.0 PA D:DCP708 3.3 28.2 1.0 CD2 D:HIS167 3.4 33.0 1.0 CG D:ASP311 3.4 23.6 1.0 CE1 D:HIS167 3.4 33.0 1.0 CE1 D:HIS206 3.4 21.1 1.0 OD1 D:ASP207 3.8 23.9 1.0 O1A D:DCP708 3.8 28.2 1.0 MG D:MG706 4.1 19.3 1.0 O5' D:DCP708 4.1 28.2 1.0 CG D:HIS206 4.2 21.1 1.0 CB D:ASP207 4.3 23.9 1.0 ND1 D:HIS206 4.4 21.1 1.0 NH1 D:ARG164 4.4 23.9 1.0 ND1 D:HIS167 4.5 33.0 1.0 CG D:HIS167 4.6 33.0 1.0 O3A D:DCP708 4.6 28.2 1.0 CG2 D:VAL171 4.9 23.1 1.0 CB D:ASP311 4.9 23.6 1.0

O.J.Acton, D.Sheppard, E.R.Morris, S.Kunzelmann, S.J.Caswell, A.Nans, A.Burgess, G.Kelly, P.B.Rosenthal, I.A.Taylor. Platform-Directed Allostery and Quaternary Structure Dynamics of SAMHD1 Catalysis To Be Published.