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

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

Magnesium

(Mg)

2 atoms

The binding sites of Iron atom in the Cryo-Em Structure of Tetrameric Human SAMHD1 State V - Depleted Relaxed (pdb code 8qxo). 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 V - Depleted Relaxed, PDB code: 8qxo:
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 V - 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 V - Depleted Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:76.7 occ:1.00 OD1 A:ASP311 2.0 90.8 1.0 OD2 A:ASP207 2.0 80.9 1.0 NE2 A:HIS167 2.2 77.5 1.0 NE2 A:HIS206 2.2 83.2 1.0 CE1 A:HIS167 2.6 77.5 1.0 CG A:ASP207 3.0 80.9 1.0 CE1 A:HIS206 3.1 83.2 1.0 CG A:ASP311 3.1 90.8 1.0 CD2 A:HIS206 3.3 83.2 1.0 OD1 A:ASP207 3.4 80.9 1.0 CD2 A:HIS167 3.5 77.5 1.0 OD2 A:ASP311 3.6 90.8 1.0 ND1 A:HIS167 3.9 77.5 1.0 NH2 A:ARG164 4.1 75.8 1.0 ND1 A:HIS206 4.2 83.2 1.0 CB A:ASP207 4.3 80.9 1.0 CB A:ASP311 4.3 90.8 1.0 CG A:HIS206 4.3 83.2 1.0 CG A:HIS167 4.3 77.5 1.0 CG2 A:VAL171 4.8 83.8 1.0

Iron binding site 2 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State V - 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 V - Depleted Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe703 b:66.2 occ:1.00 NE2 B:HIS167 2.1 69.9 1.0 NE2 B:HIS206 2.2 72.0 1.0 O1G B:DCP704 2.3 81.4 1.0 CE1 B:HIS206 2.6 72.0 1.0 OD2 B:ASP311 2.7 72.1 1.0 OD1 B:ASP311 2.9 72.1 1.0 CE1 B:HIS167 3.0 69.9 1.0 CG B:ASP311 3.2 72.1 1.0 CD2 B:HIS167 3.2 69.9 1.0 PG B:DCP704 3.5 81.4 1.0 CD2 B:HIS206 3.5 72.0 1.0 O3G B:DCP704 3.6 81.4 1.0 ND1 B:HIS206 3.9 72.0 1.0 OD2 B:ASP207 3.9 73.2 1.0 NH2 B:ARG164 4.0 70.4 1.0 O2B B:DCP704 4.1 81.4 1.0 ND1 B:HIS167 4.2 69.9 1.0 CG B:HIS167 4.3 69.9 1.0 CG B:HIS206 4.3 72.0 1.0 CB B:ASP207 4.4 73.2 1.0 CG B:ASP207 4.4 73.2 1.0 O3B B:DCP704 4.5 81.4 1.0 O2G B:DCP704 4.5 81.4 1.0 CB B:ASP311 4.7 72.1 1.0 PB B:DCP704 4.9 81.4 1.0 CG2 B:VAL171 4.9 69.9 1.0

Iron binding site 3 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State V - 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 V - Depleted Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe801 b:81.0 occ:1.00 OD2 C:ASP207 2.0 77.5 1.0 NE2 C:HIS167 2.2 72.7 1.0 NE2 C:HIS206 2.2 75.2 1.0 OD1 C:ASP311 2.4 81.3 1.0 CE1 C:HIS167 3.1 72.7 1.0 CE1 C:HIS206 3.1 75.2 1.0 CD2 C:HIS167 3.2 72.7 1.0 CG C:ASP207 3.2 77.5 1.0 CD2 C:HIS206 3.2 75.2 1.0 CG C:ASP311 3.3 81.3 1.0 OD2 C:ASP311 3.7 81.3 1.0 OD1 C:ASP207 3.8 77.5 1.0 ND1 C:HIS167 4.2 72.7 1.0 CB C:ASP207 4.2 77.5 1.0 CG C:HIS167 4.3 72.7 1.0 ND1 C:HIS206 4.3 75.2 1.0 NH2 C:ARG164 4.3 73.4 1.0 CG C:HIS206 4.3 75.2 1.0 CB C:ASP311 4.6 81.3 1.0

Iron binding site 4 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State V - 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 V - Depleted Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe703 b:49.8 occ:1.00 OD2 D:ASP207 2.0 67.8 1.0 NE2 D:HIS167 2.2 65.3 1.0 NE2 D:HIS206 2.2 63.5 1.0 OD1 D:ASP311 2.2 70.7 1.0 O2A D:DCP704 2.4 79.0 1.0 CE1 D:HIS167 3.0 65.3 1.0 CE1 D:HIS206 3.1 63.5 1.0 CG D:ASP207 3.2 67.8 1.0 CD2 D:HIS206 3.2 63.5 1.0 CD2 D:HIS167 3.2 65.3 1.0 CG D:ASP311 3.3 70.7 1.0 PA D:DCP704 3.6 79.0 1.0 OD1 D:ASP207 3.6 67.8 1.0 OD2 D:ASP311 3.8 70.7 1.0 O5' D:DCP704 3.9 79.0 1.0 NH1 D:ARG164 3.9 68.4 1.0 ND1 D:HIS167 4.1 65.3 1.0 O3A D:DCP704 4.2 79.0 1.0 ND1 D:HIS206 4.2 63.5 1.0 CG D:HIS167 4.2 65.3 1.0 CG D:HIS206 4.3 63.5 1.0 CB D:ASP311 4.4 70.7 1.0 CB D:ASP207 4.4 67.8 1.0 O1A D:DCP704 4.8 79.0 1.0 CG2 D:VAL171 4.9 65.0 1.0 C5' D:DCP704 5.0 79.0 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.