Iron in PDB 8qxm: Cryo-Em Structure of Tetrameric Human SAMHD1 State III - Relaxed

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

Magnesium

(Mg)

10 atoms

The binding sites of Iron atom in the Cryo-Em Structure of Tetrameric Human SAMHD1 State III - Relaxed (pdb code 8qxm). 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 III - Relaxed, PDB code: 8qxm:
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 III - 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 III - Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:12.8 occ:1.00 OD2 A:ASP207 2.0 5.4 1.0 NE2 A:HIS167 2.1 3.9 1.0 NE2 A:HIS206 2.2 5.0 1.0 OD1 A:ASP311 2.3 8.5 1.0 CD2 A:HIS206 2.8 5.0 1.0 CE1 A:HIS167 3.0 3.9 1.0 CG A:ASP207 3.1 5.4 1.0 CD2 A:HIS167 3.2 3.9 1.0 CG A:ASP311 3.2 8.5 1.0 OH A:TYR315 3.3 8.9 1.0 CE1 A:HIS206 3.3 5.0 1.0 OD2 A:ASP311 3.5 8.5 1.0 OD1 A:ASP207 3.6 5.4 1.0 CZ A:TYR315 3.7 8.9 1.0 CE2 A:TYR315 3.9 8.9 1.0 CG A:HIS206 4.1 5.0 1.0 ND1 A:HIS167 4.1 3.9 1.0 MG A:MG802 4.1 5.1 1.0 ND1 A:HIS206 4.3 5.0 1.0 CG A:HIS167 4.3 3.9 1.0 CB A:ASP207 4.3 5.4 1.0 NH1 A:ARG164 4.4 3.9 1.0 CB A:ASP311 4.5 8.5 1.0 CE1 A:TYR315 4.5 8.9 1.0 CG2 A:VAL171 4.7 6.0 1.0 O A:ASP311 4.8 8.5 1.0 CD2 A:TYR315 4.9 8.9 1.0

Iron binding site 2 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State III - 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 III - Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe703 b:10.3 occ:1.00 NE2 B:HIS167 2.2 5.1 1.0 NE2 B:HIS206 2.7 5.1 1.0 OD2 B:ASP311 2.8 5.1 1.0 OD2 B:ASP207 2.9 5.1 1.0 OD1 B:ASP311 2.9 5.1 1.0 CG B:ASP311 3.0 5.1 1.0 O1A B:DCP707 3.1 12.5 1.0 CE1 B:HIS167 3.1 5.1 1.0 CD2 B:HIS167 3.2 5.1 1.0 CD2 B:HIS206 3.5 5.1 1.0 CE1 B:HIS206 3.7 5.1 1.0 CG B:ASP207 3.8 5.1 1.0 OD1 B:ASP207 4.0 5.1 1.0 MG B:MG704 4.1 5.1 1.0 PA B:DCP707 4.1 12.5 1.0 NH2 B:ARG164 4.2 5.1 1.0 ND1 B:HIS167 4.3 5.1 1.0 CB B:ASP311 4.3 5.1 1.0 O5' B:DCP707 4.4 12.5 1.0 CG B:HIS167 4.4 5.1 1.0 O2A B:DCP707 4.5 12.5 1.0 CG B:HIS206 4.7 5.1 1.0 ND1 B:HIS206 4.7 5.1 1.0 CG2 B:VAL171 4.8 5.1 1.0

Iron binding site 3 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State III - 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 III - Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe703 b:10.9 occ:1.00 OD2 C:ASP207 2.0 5.1 1.0 NE2 C:HIS167 2.1 5.1 1.0 NE2 C:HIS206 2.2 3.5 1.0 OD1 C:ASP311 2.3 8.1 1.0 CE1 C:HIS167 3.0 5.1 1.0 CD2 C:HIS206 3.0 3.5 1.0 CG C:ASP311 3.1 8.1 1.0 CG C:ASP207 3.1 5.1 1.0 CD2 C:HIS167 3.2 5.1 1.0 CE1 C:HIS206 3.2 3.5 1.0 OD2 C:ASP311 3.3 8.1 1.0 OH C:TYR315 3.3 8.7 1.0 OD1 C:ASP207 3.7 5.1 1.0 CZ C:TYR315 3.7 8.7 1.0 CE2 C:TYR315 3.9 8.7 1.0 NH2 C:ARG164 4.0 2.0 1.0 MG C:MG704 4.1 5.1 1.0 ND1 C:HIS167 4.1 5.1 1.0 CG C:HIS206 4.2 3.5 1.0 ND1 C:HIS206 4.2 3.5 1.0 CG C:HIS167 4.3 5.1 1.0 CB C:ASP207 4.3 5.1 1.0 CB C:ASP311 4.5 8.1 1.0 CE1 C:TYR315 4.6 8.7 1.0 CG2 C:VAL171 4.7 4.8 1.0 CD2 C:TYR315 4.9 8.7 1.0

Iron binding site 4 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State III - 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 III - Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe703 b:7.5 occ:1.00 NE2 D:HIS167 2.2 5.1 1.0 NE2 D:HIS206 2.6 2.4 1.0 OD2 D:ASP207 2.6 4.5 1.0 O1A D:DCP706 3.1 12.3 1.0 CE1 D:HIS167 3.2 5.1 1.0 CD2 D:HIS167 3.2 5.1 1.0 CD2 D:HIS206 3.5 2.4 1.0 CE1 D:HIS206 3.5 2.4 1.0 CG D:ASP207 3.7 4.5 1.0 OD1 D:ASP207 4.1 4.5 1.0 OD2 D:ASP311 4.1 5.1 1.0 MG D:MG704 4.1 5.1 1.0 NH1 D:ARG164 4.2 5.1 1.0 CB D:ASP311 4.2 5.1 1.0 PA D:DCP706 4.2 12.3 1.0 CG D:ASP311 4.2 5.1 1.0 ND1 D:HIS167 4.3 5.1 1.0 CG D:HIS167 4.4 5.1 1.0 O5' D:DCP706 4.4 12.3 1.0 O2A D:DCP706 4.6 12.3 1.0 ND1 D:HIS206 4.6 2.4 1.0 CG D:HIS206 4.7 2.4 1.0 CG2 D:VAL171 4.8 5.1 1.0 OD1 D:ASP311 4.8 5.1 1.0 CB D:ASP207 4.9 4.5 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.