Iron in PDB 7rjb: Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position

All present enzymatic activity of Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position:
7.1.1.8;

The binding sites of Iron atom in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position (pdb code 7rjb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position, PDB code: 7rjb:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position within 5.0Å range: probe atom residue distance (Å) B Occ K:Fe401 b:74.2 occ:1.00 FE K:HEM401 0.0 74.2 1.0 NE2 K:HIS82 1.8 72.8 1.0 NB K:HEM401 2.0 74.2 1.0 NA K:HEM401 2.0 74.2 1.0 NC K:HEM401 2.0 74.2 1.0 ND K:HEM401 2.0 74.2 1.0 HE1 K:HIS82 2.4 72.8 1.0 CE1 K:HIS82 2.4 72.8 1.0 NE2 K:HIS183 2.5 74.7 1.0 C4A K:HEM401 3.0 74.2 1.0 C1B K:HEM401 3.0 74.2 1.0 C1C K:HEM401 3.0 74.2 1.0 C4C K:HEM401 3.0 74.2 1.0 C1A K:HEM401 3.0 74.2 1.0 C4B K:HEM401 3.0 74.2 1.0 C1D K:HEM401 3.1 74.2 1.0 CD2 K:HIS82 3.1 72.8 1.0 C4D K:HEM401 3.1 74.2 1.0 CE1 K:HIS183 3.3 74.7 1.0 HE1 K:HIS183 3.4 74.7 1.0 CHB K:HEM401 3.4 74.2 1.0 CHC K:HEM401 3.4 74.2 1.0 CHD K:HEM401 3.4 74.2 1.0 CHA K:HEM401 3.4 74.2 1.0 CD2 K:HIS183 3.5 74.7 1.0 HD2 K:HIS82 3.5 72.8 1.0 OE1 K:GLN43 3.6 73.5 1.0 ND1 K:HIS82 3.6 72.8 1.0 HD2 K:HIS183 3.7 74.7 1.0 HE22 K:GLN43 3.9 73.5 1.0 CG K:HIS82 3.9 72.8 1.0 HA3 K:GLY131 4.2 76.7 1.0 C3A K:HEM401 4.2 74.2 1.0 C2A K:HEM401 4.2 74.2 1.0 C3C K:HEM401 4.2 74.2 1.0 C2C K:HEM401 4.3 74.2 1.0 C2B K:HEM401 4.3 74.2 1.0 CD K:GLN43 4.3 73.5 1.0 C3B K:HEM401 4.3 74.2 1.0 HHD K:HEM401 4.3 74.2 1.0 HD1 K:HIS82 4.3 72.8 1.0 C2D K:HEM401 4.3 74.2 1.0 C3D K:HEM401 4.3 74.2 1.0 NE2 K:GLN43 4.3 73.5 1.0 HHB K:HEM401 4.4 74.2 1.0 HHA K:HEM401 4.4 74.2 1.0 HHC K:HEM401 4.4 74.2 1.0 ND1 K:HIS183 4.5 74.7 1.0 CG K:HIS183 4.6 74.7 1.0 HA3 K:GLY47 4.7 73.2 1.0 HA2 K:GLY47 4.8 73.2 1.0 HG22 K:ILE127 4.9 74.8 1.0 O K:GLN43 4.9 73.5 1.0 HB3 K:GLN43 4.9 73.5 1.0

Iron binding site 2 out of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position within 5.0Å range: probe atom residue distance (Å) B Occ K:Fe402 b:74.1 occ:1.00 FE K:HEM402 0.0 74.1 1.0 ND K:HEM402 2.0 74.1 1.0 NB K:HEM402 2.0 74.1 1.0 NC K:HEM402 2.1 74.1 1.0 NA K:HEM402 2.1 74.1 1.0 NE2 K:HIS197 2.2 74.2 1.0 NE2 K:HIS96 2.3 72.7 1.0 C4D K:HEM402 2.9 74.1 1.0 CD2 K:HIS197 2.9 74.2 1.0 C1D K:HEM402 2.9 74.1 1.0 CD2 K:HIS96 3.0 72.7 1.0 C1B K:HEM402 3.0 74.1 1.0 C4B K:HEM402 3.0 74.1 1.0 HD2 K:HIS197 3.0 74.2 1.0 C4A K:HEM402 3.1 74.1 1.0 C1C K:HEM402 3.1 74.1 1.0 HD2 K:HIS96 3.1 72.7 1.0 C1A K:HEM402 3.1 74.1 1.0 C4C K:HEM402 3.1 74.1 1.0 CE1 K:HIS197 3.2 74.2 1.0 CE1 K:HIS96 3.3 72.7 1.0 CHB K:HEM402 3.4 74.1 1.0 CHC K:HEM402 3.4 74.1 1.0 CHA K:HEM402 3.4 74.1 1.0 CHD K:HEM402 3.4 74.1 1.0 HE1 K:HIS197 3.5 74.2 1.0 HE1 K:HIS96 3.6 72.7 1.0 C3D K:HEM402 4.0 74.1 1.0 CG K:HIS197 4.1 74.2 1.0 C2D K:HEM402 4.1 74.1 1.0 CG K:HIS96 4.1 72.7 1.0 ND1 K:HIS197 4.1 74.2 1.0 C3B K:HEM402 4.2 74.1 1.0 C2B K:HEM402 4.2 74.1 1.0 HHB K:HEM402 4.3 74.1 1.0 C3A K:HEM402 4.3 74.1 1.0 C2A K:HEM402 4.3 74.1 1.0 ND1 K:HIS96 4.3 72.7 1.0 C2C K:HEM402 4.3 74.1 1.0 C3C K:HEM402 4.3 74.1 1.0 HHD K:HEM402 4.3 74.1 1.0 HHA K:HEM402 4.4 74.1 1.0 HHC K:HEM402 4.4 74.1 1.0 HD13 K:LEU36 4.5 74.1 1.0 HD12 K:LEU36 4.5 74.1 1.0 HA2 K:GLY33 4.5 74.7 1.0 HA3 K:GLY33 4.8 74.7 1.0 HD12 K:LEU113 4.9 75.5 1.0 HD1 K:HIS197 4.9 74.2 1.0 CD1 K:LEU36 4.9 74.1 1.0

Iron binding site 3 out of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe301 b:90.6 occ:1.00 FE D:HEC301 0.0 90.6 1.0 NC D:HEC301 2.0 90.6 1.0 NB D:HEC301 2.0 90.6 1.0 ND D:HEC301 2.0 90.6 1.0 NA D:HEC301 2.1 90.6 1.0 NE2 D:HIS86 2.1 88.5 1.0 CD2 D:HIS86 2.9 88.5 1.0 HD2 D:HIS86 2.9 88.5 1.0 HG3 D:MET206 2.9 92.8 1.0 SD D:MET206 3.0 92.8 1.0 C1C D:HEC301 3.0 90.6 1.0 C1D D:HEC301 3.0 90.6 1.0 C4B D:HEC301 3.0 90.6 1.0 C4C D:HEC301 3.0 90.6 1.0 C1B D:HEC301 3.0 90.6 1.0 C4D D:HEC301 3.1 90.6 1.0 C1A D:HEC301 3.1 90.6 1.0 C4A D:HEC301 3.1 90.6 1.0 CE1 D:HIS86 3.3 88.5 1.0 CHC D:HEC301 3.4 90.6 1.0 CHD D:HEC301 3.4 90.6 1.0 CG D:MET206 3.4 92.8 1.0 CHA D:HEC301 3.4 90.6 1.0 CHB D:HEC301 3.4 90.6 1.0 HE1 D:HIS86 3.6 88.5 1.0 HG2 D:MET206 4.0 92.8 1.0 CG D:HIS86 4.1 88.5 1.0 HB3 D:PRO155 4.2 90.2 1.0 C2C D:HEC301 4.2 90.6 1.0 C3C D:HEC301 4.2 90.6 1.0 C2D D:HEC301 4.2 90.6 1.0 C2B D:HEC301 4.2 90.6 1.0 C3B D:HEC301 4.3 90.6 1.0 C3D D:HEC301 4.3 90.6 1.0 C2A D:HEC301 4.3 90.6 1.0 ND1 D:HIS86 4.3 88.5 1.0 C3A D:HEC301 4.3 90.6 1.0 HHC D:HEC301 4.3 90.6 1.0 HHD D:HEC301 4.4 90.6 1.0 HHA D:HEC301 4.4 90.6 1.0 HHB D:HEC301 4.4 90.6 1.0 HB2 D:CYS85 4.5 90.6 1.0 HB2 D:MET206 4.5 92.8 1.0 CB D:MET206 4.6 92.8 1.0 HB2 D:PRO155 4.6 90.2 1.0 CE D:MET206 4.7 92.8 1.0 HD21 D:LEU158 4.8 86.4 1.0 CB D:PRO155 4.8 90.2 1.0 HD2 D:PRO156 4.9 87.3 1.0 HA D:MET206 4.9 92.8 1.0 HE1 D:MET206 4.9 92.8 1.0 HD11 D:LEU158 5.0 86.4 1.0 HA D:PRO155 5.0 90.2 1.0 HE3 D:MET206 5.0 92.8 1.0

Iron binding site 4 out of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe301 b:40.6 occ:1.00 FE1 E:FES301 0.0 40.6 1.0 CB E:THR157 1.9 0.9 1.0 S1 E:FES301 2.2 35.9 1.0 S2 E:FES301 2.3 37.4 1.0 CB E:CYS161 2.4 0.9 1.0 O E:LEU159 2.6 0.9 1.0 CA E:THR157 3.1 0.9 1.0 FE2 E:FES301 3.2 37.6 1.0 CA E:CYS161 3.3 0.9 1.0 N E:CYS161 3.3 0.9 1.0 N E:THR157 3.4 0.9 1.0 C E:GLY160 3.7 0.9 1.0 C E:THR157 3.8 0.9 1.0 C E:LEU159 3.9 0.9 1.0 O E:GLY160 4.0 0.9 1.0 CB E:CYS175 4.1 0.9 1.0 O E:THR157 4.2 0.9 1.0 N E:HIS158 4.5 0.8 1.0 C E:CYS156 4.5 0.9 1.0 CA E:GLY160 4.6 0.9 1.0 C E:CYS161 4.6 0.9 1.0 N E:LEU159 4.6 0.9 1.0 N E:GLY160 4.7 0.9 1.0 CB E:CYS177 4.7 0.9 1.0 CA E:LEU159 4.8 0.9 1.0 O E:CYS161 4.9 0.9 1.0

Iron binding site 5 out of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe301 b:37.6 occ:1.00 FE2 E:FES301 0.0 37.6 1.0 S2 E:FES301 2.2 37.4 1.0 S1 E:FES301 2.2 35.9 1.0 FE1 E:FES301 3.2 40.6 1.0 CB E:CYS177 3.5 0.9 1.0 O E:GLY160 3.9 0.9 1.0 O E:LEU159 4.0 0.9 1.0 N E:HIS178 4.1 0.8 1.0 HG23 K:VAL146 4.1 89.0 1.0 CB E:HIS178 4.1 0.8 1.0 CB E:CYS161 4.3 0.9 1.0 C E:CYS177 4.3 0.9 1.0 HG13 K:VAL146 4.4 89.0 1.0 CA E:CYS177 4.5 0.9 1.0 CA E:CYS161 4.5 0.9 1.0 C E:GLY160 4.6 0.9 1.0 CA E:HIS178 4.7 0.8 1.0 CB E:LEU159 4.7 0.9 1.0 HG12 K:VAL146 4.8 89.0 1.0 O E:CYS177 4.8 0.9 1.0 C E:LEU159 4.8 0.9 1.0 CB E:THR157 4.8 0.9 1.0 N E:CYS161 4.8 0.9 1.0 HD21 K:LEU150 5.0 92.0 1.0

J.M.Di Trani, L.Zhongle, L.Whitesell, P.Brzezinski, L.E.Cowen, J.L.Rubinstein. Rieske Head Domain Dynamics and Indazole-Derivative Inhibition of Candida Albicans Complex III To Be Published.