Iron in PDB 8qxk: Cryo-Em Structure of Tetrameric Human SAMHD1 State I - Tense

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

Magnesium

(Mg)

12 atoms

The binding sites of Iron atom in the Cryo-Em Structure of Tetrameric Human SAMHD1 State I - Tense (pdb code 8qxk). 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 I - Tense, PDB code: 8qxk:
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 I - Tense


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 I - Tense within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:3.2 occ:1.00 NE2 A:HIS206 2.2 0.9 1.0 NE2 A:HIS167 2.2 0.6 1.0 OD2 A:ASP207 2.4 1.0 1.0 OD2 A:ASP311 2.8 1.3 1.0 OD1 A:ASP311 2.8 1.3 1.0 O2A A:DCP706 3.1 4.8 1.0 CG A:ASP311 3.1 1.3 1.0 CE1 A:HIS206 3.1 0.9 1.0 CE1 A:HIS167 3.2 0.6 1.0 CD2 A:HIS206 3.2 0.9 1.0 CD2 A:HIS167 3.3 0.6 1.0 CG A:ASP207 3.5 1.0 1.0 NH2 A:ARG164 4.0 0.8 1.0 OD1 A:ASP207 4.0 1.0 1.0 ND1 A:HIS206 4.3 0.9 1.0 PA A:DCP706 4.3 4.8 1.0 ND1 A:HIS167 4.3 0.6 1.0 CG A:HIS206 4.3 0.9 1.0 O5' A:DCP706 4.4 4.8 1.0 CG A:HIS167 4.4 0.6 1.0 MG A:MG703 4.4 4.9 1.0 CB A:ASP311 4.5 1.3 1.0 CG2 A:VAL171 4.7 0.7 1.0 O2B A:DCP706 4.7 4.8 1.0 CB A:ASP207 4.7 1.0 1.0 O1A A:DCP706 4.9 4.8 1.0

Iron binding site 2 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State I - Tense


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 I - Tense within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe702 b:2.3 occ:1.00 NE2 C:HIS206 2.2 0.8 1.0 NE2 C:HIS167 2.3 0.5 1.0 OD2 C:ASP207 2.4 0.9 1.0 OD2 C:ASP311 2.8 1.3 1.0 OD1 C:ASP311 2.9 1.3 1.0 O1A C:DCP706 3.1 5.3 1.0 CG C:ASP311 3.1 1.3 1.0 CE1 C:HIS206 3.1 0.8 1.0 CD2 C:HIS206 3.2 0.8 1.0 CE1 C:HIS167 3.2 0.5 1.0 CD2 C:HIS167 3.3 0.5 1.0 CG C:ASP207 3.5 0.9 1.0 NH2 C:ARG164 4.0 0.9 1.0 OD1 C:ASP207 4.0 0.9 1.0 ND1 C:HIS206 4.3 0.8 1.0 PA C:DCP706 4.3 5.3 1.0 CG C:HIS206 4.3 0.8 1.0 ND1 C:HIS167 4.3 0.5 1.0 O5' C:DCP706 4.4 5.3 1.0 MG C:MG703 4.4 4.3 1.0 CG C:HIS167 4.4 0.5 1.0 CB C:ASP311 4.5 1.3 1.0 CG2 C:VAL171 4.7 0.7 1.0 O1B C:DCP706 4.7 5.3 1.0 CB C:ASP207 4.7 0.9 1.0 O2A C:DCP706 4.9 5.3 1.0

Iron binding site 3 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State I - Tense


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 I - Tense within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe703 b:2.5 occ:1.00 NE2 B:HIS206 2.2 0.9 1.0 NE2 B:HIS167 2.3 0.6 1.0 OD2 B:ASP311 2.8 1.4 1.0 OD2 B:ASP207 2.9 0.9 1.0 OD1 B:ASP311 2.9 1.4 1.0 O1A B:DCP707 3.1 4.7 1.0 CE1 B:HIS206 3.1 0.9 1.0 CG B:ASP311 3.1 1.4 1.0 CE1 B:HIS167 3.2 0.6 1.0 CD2 B:HIS206 3.2 0.9 1.0 CD2 B:HIS167 3.3 0.6 1.0 CG B:ASP207 3.6 0.9 1.0 NH2 B:ARG164 4.0 1.0 1.0 OD1 B:ASP207 4.0 0.9 1.0 ND1 B:HIS206 4.2 0.9 1.0 PA B:DCP707 4.3 4.7 1.0 CG B:HIS206 4.3 0.9 1.0 ND1 B:HIS167 4.3 0.6 1.0 O5' B:DCP707 4.4 4.7 1.0 MG B:MG704 4.4 5.3 1.0 CG B:HIS167 4.4 0.6 1.0 CB B:ASP311 4.5 1.4 1.0 CG2 B:VAL171 4.6 0.8 1.0 O1B B:DCP707 4.7 4.7 1.0 CB B:ASP207 4.7 0.9 1.0 O2A B:DCP707 4.9 4.7 1.0

Iron binding site 4 out of 4 in the Cryo-Em Structure of Tetrameric Human SAMHD1 State I - Tense


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 I - Tense within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe703 b:3.4 occ:1.00 NE2 D:HIS206 2.2 0.8 1.0 NE2 D:HIS167 2.3 0.8 1.0 OD2 D:ASP207 2.4 0.9 1.0 OD2 D:ASP311 2.8 1.4 1.0 OD1 D:ASP311 2.8 1.4 1.0 O2A D:DCP707 2.8 4.7 1.0 CG D:ASP311 3.1 1.4 1.0 CE1 D:HIS167 3.2 0.8 1.0 CD2 D:HIS206 3.2 0.8 1.0 CE1 D:HIS206 3.2 0.8 1.0 CD2 D:HIS167 3.3 0.8 1.0 CG D:ASP207 3.4 0.9 1.0 OD1 D:ASP207 3.9 0.9 1.0 NH2 D:ARG164 4.0 1.0 1.0 PA D:DCP707 4.1 4.7 1.0 ND1 D:HIS167 4.3 0.8 1.0 ND1 D:HIS206 4.3 0.8 1.0 CG D:HIS206 4.4 0.8 1.0 MG D:MG704 4.4 4.8 1.0 O5' D:DCP707 4.4 4.7 1.0 CG D:HIS167 4.4 0.8 1.0 CB D:ASP311 4.5 1.4 1.0 O1A D:DCP707 4.5 4.7 1.0 CB D:ASP207 4.6 0.9 1.0 CG2 D:VAL171 4.7 0.8 1.0 O2B D:DCP707 4.7 4.7 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.