Iron in PDB 8uhw: The Structure of the Clostridium Thermocellum Adhe Spirosome

The binding sites of Iron atom in the The Structure of the Clostridium Thermocellum Adhe Spirosome (pdb code 8uhw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the The Structure of the Clostridium Thermocellum Adhe Spirosome, PDB code: 8uhw:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in the The Structure of the Clostridium Thermocellum Adhe Spirosome


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of the Clostridium Thermocellum Adhe Spirosome within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe901 b:45.6 occ:1.00 NE2 B:HIS664 2.4 38.5 1.0 NE2 B:HIS744 2.5 44.4 1.0 CD2 B:HIS730 2.7 40.0 1.0 NE2 B:HIS730 2.7 40.0 1.0 OD1 B:ASP660 3.3 42.8 1.0 CD2 B:HIS744 3.4 44.4 1.0 CD2 B:HIS664 3.4 38.5 1.0 CE1 B:HIS664 3.4 38.5 1.0 CE1 B:HIS744 3.4 44.4 1.0 OD2 B:ASP660 3.8 42.8 1.0 CE1 B:HIS730 4.0 40.0 1.0 CG B:ASP660 4.0 42.8 1.0 CG B:HIS730 4.0 40.0 1.0 ND2 B:ASN748 4.2 42.2 1.0 ND1 B:HIS664 4.5 38.5 1.0 ND1 B:HIS744 4.5 44.4 1.0 CG B:HIS744 4.5 44.4 1.0 CG B:HIS664 4.6 38.5 1.0 ND1 B:HIS730 4.6 40.0 1.0 NE2 B:HIS734 4.6 43.5 1.0 CD1 B:LEU726 4.9 38.4 1.0

Iron binding site 2 out of 5 in the The Structure of the Clostridium Thermocellum Adhe Spirosome


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Structure of the Clostridium Thermocellum Adhe Spirosome within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe901 b:31.5 occ:1.00 NE2 C:HIS744 2.3 20.3 1.0 NE2 C:HIS664 2.7 14.6 1.0 CE1 C:HIS730 2.8 17.0 1.0 CD2 C:HIS744 3.2 20.3 1.0 CE1 C:HIS664 3.3 14.6 1.0 CE1 C:HIS744 3.3 20.3 1.0 OD2 C:ASP660 3.4 17.9 1.0 ND1 C:HIS730 3.6 17.0 1.0 NE2 C:HIS730 3.8 17.0 1.0 OD1 C:ASP660 3.8 17.9 1.0 CD2 C:HIS664 3.8 14.6 1.0 CG C:ASP660 4.0 17.9 1.0 CG C:HIS744 4.3 20.3 1.0 ND1 C:HIS744 4.4 20.3 1.0 ND1 C:HIS664 4.6 14.6 1.0 NE2 C:HIS734 4.7 20.3 1.0 CG C:HIS730 4.8 17.0 1.0 CG C:HIS664 4.8 14.6 1.0 O C:THR608 4.9 20.5 1.0 CD2 C:HIS730 4.9 17.0 1.0

Iron binding site 3 out of 5 in the The Structure of the Clostridium Thermocellum Adhe Spirosome


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Structure of the Clostridium Thermocellum Adhe Spirosome within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe901 b:31.8 occ:1.00 CE1 D:HIS744 2.3 23.0 1.0 NE2 D:HIS664 2.4 17.4 1.0 NE2 D:HIS730 2.7 21.9 1.0 CD2 D:HIS730 3.1 21.9 1.0 ND1 D:HIS744 3.2 23.0 1.0 CE1 D:HIS664 3.2 17.4 1.0 NE2 D:HIS744 3.3 23.0 1.0 CD2 D:HIS664 3.6 17.4 1.0 OD1 D:ASP660 3.6 19.9 1.0 OD2 D:ASP660 3.7 19.9 1.0 CE1 D:HIS730 3.9 21.9 1.0 CG D:ASP660 4.1 19.9 1.0 CG D:HIS744 4.3 23.0 1.0 CD2 D:HIS744 4.4 23.0 1.0 ND1 D:HIS664 4.4 17.4 1.0 CG D:HIS730 4.4 21.9 1.0 CG D:HIS664 4.6 17.4 1.0 ND2 D:ASN748 4.6 21.5 1.0 ND1 D:HIS730 4.8 21.9 1.0 CE1 D:HIS734 4.9 25.1 1.0 CD1 D:LEU726 4.9 21.6 1.0 NE2 D:HIS734 4.9 25.1 1.0

Iron binding site 4 out of 5 in the The Structure of the Clostridium Thermocellum Adhe Spirosome


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Structure of the Clostridium Thermocellum Adhe Spirosome within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe901 b:40.7 occ:1.00 NE2 E:HIS730 2.2 35.4 1.0 NE2 E:HIS664 2.6 35.1 1.0 CE1 E:HIS744 2.8 40.0 1.0 CD2 E:HIS730 2.8 35.4 1.0 OD1 E:ASP660 3.2 39.1 1.0 OD2 E:ASP660 3.3 39.1 1.0 CE1 E:HIS730 3.4 35.4 1.0 NE2 E:HIS744 3.5 40.0 1.0 CE1 E:HIS664 3.5 35.1 1.0 ND1 E:HIS744 3.5 40.0 1.0 CD2 E:HIS664 3.6 35.1 1.0 CG E:ASP660 3.7 39.1 1.0 CG E:HIS730 4.1 35.4 1.0 ND2 E:ASN748 4.2 37.7 1.0 ND1 E:HIS730 4.4 35.4 1.0 CD2 E:HIS744 4.4 40.0 1.0 CG E:HIS744 4.5 40.0 1.0 ND1 E:HIS664 4.7 35.1 1.0 CG E:HIS664 4.7 35.1 1.0 NE2 E:HIS734 4.8 40.7 1.0 CG E:ASN748 5.0 37.7 1.0

Iron binding site 5 out of 5 in the The Structure of the Clostridium Thermocellum Adhe Spirosome


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The Structure of the Clostridium Thermocellum Adhe Spirosome within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe901 b:70.0 occ:1.00 NE2 F:HIS744 2.2 58.0 1.0 CD2 F:HIS744 2.5 58.0 1.0 NE2 F:HIS664 2.7 46.8 1.0 OD1 F:ASP660 3.2 48.9 1.0 CE1 F:HIS744 3.3 58.0 1.0 OD2 F:ASP660 3.3 48.9 1.0 CE1 F:HIS664 3.4 46.8 1.0 CG F:HIS744 3.7 58.0 1.0 CG F:ASP660 3.7 48.9 1.0 CD2 F:HIS664 3.8 46.8 1.0 ND1 F:HIS744 4.0 58.0 1.0 ND1 F:HIS664 4.6 46.8 1.0 OD1 F:ASN748 4.8 54.5 1.0 CG F:HIS664 4.8 46.8 1.0 CB F:HIS744 4.9 58.0 1.0

S.Ziegler, B.Knott, J.Gruber, N.Hengge, Q.Xu, D.Olson, E.Romero, L.Joubert, Y.Bomble. Structural Characterization and Dynamics of Adhe Ultrastructures From Clostridium Thermocellum: A Containment Strategy For Toxic Intermediates Elife 2024.
ISSN: ESSN 2050-084X
DOI: 10.1101/2024.02.16.580662