Iron in PDB 8qxl: Cryo-Em Structure of Tetrameric Human SAMHD1 State II - Hemi-Relaxed

The structure of Cryo-Em Structure of Tetrameric Human SAMHD1 State II - Hemi-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 II - Hemi-Relaxed (pdb code 8qxl). 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 II - Hemi-Relaxed, PDB code: 8qxl:
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 II - Hemi-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 II - Hemi-Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:11.7 occ:1.00 NE2 A:HIS206 2.2 5.4 1.0 OD2 A:ASP207 2.2 6.8 1.0 NE2 A:HIS167 2.3 7.8 1.0 OD1 A:ASP311 2.5 7.2 1.0 OH A:TYR315 2.7 8.1 1.0 CD2 A:HIS206 2.9 5.4 1.0 OD2 A:ASP311 2.9 7.2 1.0 CG A:ASP311 3.1 7.2 1.0 CG A:ASP207 3.1 6.8 1.0 CD2 A:HIS167 3.2 7.8 1.0 CE1 A:HIS167 3.3 7.8 1.0 CE1 A:HIS206 3.3 5.4 1.0 CZ A:TYR315 3.3 8.1 1.0 OD1 A:ASP207 3.6 6.8 1.0 CE1 A:TYR315 4.0 8.1 1.0 CE2 A:TYR315 4.0 8.1 1.0 CG A:HIS206 4.1 5.4 1.0 ND1 A:HIS206 4.3 5.4 1.0 CB A:ASP207 4.3 6.8 1.0 CG A:HIS167 4.3 7.8 1.0 ND1 A:HIS167 4.3 7.8 1.0 MG A:MG703 4.5 10.0 1.0 CB A:ASP311 4.5 7.2 1.0 NH2 A:ARG164 4.6 4.8 1.0 O1A A:3PO706 4.7 16.5 0.2 CG2 A:VAL171 4.8 3.4 1.0 O5' A:3PO706 4.9 16.5 0.2

Iron binding site 2 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State II - Hemi-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 II - Hemi-Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe801 b:11.2 occ:1.00 NE2 B:HIS167 2.4 7.8 1.0 OD2 B:ASP207 2.4 7.8 1.0 NE2 B:HIS206 2.7 11.6 1.0 OD1 B:ASP311 2.7 11.0 1.0 O1A B:DCP805 2.8 16.9 1.0 CG B:ASP311 3.3 11.0 1.0 OD2 B:ASP311 3.3 11.0 1.0 CE1 B:HIS167 3.4 7.8 1.0 CD2 B:HIS167 3.4 7.8 1.0 CD2 B:HIS206 3.4 11.6 1.0 CG B:ASP207 3.5 7.8 1.0 CE1 B:HIS206 3.8 11.6 1.0 PA B:DCP805 3.8 16.9 1.0 OD1 B:ASP207 3.8 7.8 1.0 NH2 B:ARG164 3.9 4.7 1.0 O2A B:DCP805 3.9 16.9 1.0 MG B:MG802 4.1 7.8 1.0 O5' B:DCP805 4.3 16.9 1.0 ND1 B:HIS167 4.5 7.8 1.0 CG B:HIS167 4.5 7.8 1.0 CB B:ASP311 4.6 11.0 1.0 CG B:HIS206 4.6 11.6 1.0 ND1 B:HIS206 4.8 11.6 1.0 CB B:ASP207 4.8 7.8 1.0 CZ B:ARG164 5.0 4.7 1.0

Iron binding site 3 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State II - Hemi-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 II - Hemi-Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe702 b:14.4 occ:1.00 NE2 C:HIS206 2.1 5.5 1.0 OD2 C:ASP207 2.1 5.8 1.0 CE1 C:HIS167 2.4 7.8 1.0 CE1 C:HIS206 3.0 5.5 1.0 CD2 C:HIS206 3.0 5.5 1.0 CG C:ASP207 3.2 5.8 1.0 OH C:TYR315 3.2 8.5 1.0 NE2 C:HIS167 3.2 7.8 1.0 ND1 C:HIS167 3.4 7.8 1.0 OD1 C:ASP207 3.7 5.8 1.0 CZ C:TYR315 3.9 8.5 1.0 ND1 C:HIS206 4.1 5.5 1.0 CG C:HIS206 4.1 5.5 1.0 CE1 C:TYR315 4.2 8.5 1.0 CB C:ASP207 4.4 5.8 1.0 MG C:MG703 4.4 11.7 1.0 CG C:ASP311 4.4 11.0 1.0 OD1 C:ASP311 4.5 11.0 1.0 CD2 C:HIS167 4.5 7.8 1.0 NH1 C:ARG164 4.5 7.8 1.0 CG C:HIS167 4.5 7.8 1.0 O1B C:3PO706 4.6 67.7 1.0 CB C:ASP311 4.6 11.0 1.0 OD2 C:ASP311 4.7 11.0 1.0 CG2 C:VAL171 4.8 4.7 1.0 CE2 C:TYR315 4.8 8.5 1.0

Iron binding site 4 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State II - Hemi-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 II - Hemi-Relaxed within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe703 b:13.7 occ:1.00 NE2 D:HIS206 2.2 6.0 1.0 OD2 D:ASP207 2.3 7.8 1.0 OD1 D:ASP311 2.4 7.8 1.0 NE2 D:HIS167 2.5 6.5 1.0 CD2 D:HIS206 3.1 6.0 1.0 CG D:ASP311 3.2 7.8 1.0 OD2 D:ASP311 3.2 7.8 1.0 CD2 D:HIS167 3.2 6.5 1.0 CE1 D:HIS206 3.3 6.0 1.0 CG D:ASP207 3.4 7.8 1.0 CE1 D:HIS167 3.6 6.5 1.0 OD1 D:ASP207 4.0 7.8 1.0 CG D:HIS206 4.3 6.0 1.0 ND1 D:HIS206 4.3 6.0 1.0 NH1 D:ARG164 4.3 22.1 1.0 CG D:HIS167 4.5 6.5 1.0 CB D:ASP207 4.5 7.8 1.0 ND1 D:HIS167 4.6 6.5 1.0 CB D:ASP311 4.6 7.8 1.0 MG D:MG704 4.7 11.2 1.0 CG2 D:VAL171 4.8 4.1 1.0 O3A D:DCP707 4.9 25.8 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.