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

Enzymatic activity of Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in C Position

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

Iron Binding Sites:

The binding sites of Iron atom in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in C Position (pdb code 7rjd). 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 C Position, PDB code: 7rjd:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in 7rjd

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Iron binding site 1 out of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in C 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 C 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 1.3 0.9 1.0
S1 E:FES301 2.2 35.9 1.0
S2 E:FES301 2.3 37.4 1.0
CA E:THR157 2.9 0.9 1.0
FE2 E:FES301 3.2 37.6 1.0
O E:LEU159 3.2 0.9 1.0
CB E:CYS161 3.3 0.9 1.0
N E:THR157 3.6 0.9 1.0
C E:THR157 3.7 0.9 1.0
CB E:CYS175 4.0 0.9 1.0
N E:HIS158 4.1 0.8 1.0
N E:ALA193 4.3 0.9 1.0
CA E:ALA193 4.3 0.9 1.0
CA E:CYS161 4.4 0.9 1.0
N E:CYS161 4.4 0.9 1.0
C E:LEU159 4.4 0.9 1.0
O E:THR157 4.4 0.9 1.0
CB E:ALA193 4.5 0.9 1.0
N E:LEU159 4.6 0.9 1.0
CB E:PRO192 4.6 0.9 1.0
C E:CYS156 4.6 0.9 1.0
C E:PRO192 4.7 0.9 1.0
C E:GLY160 4.8 0.9 1.0
CB E:SER180 4.9 0.9 1.0

Iron binding site 2 out of 5 in 7rjd

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Iron binding site 2 out of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in C 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 C 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
O E:LEU159 3.1 0.9 1.0
FE1 E:FES301 3.2 40.6 1.0
O E:GLY160 3.4 0.9 1.0
C E:LEU159 3.9 0.9 1.0
CB E:LEU159 3.9 0.9 1.0
C E:GLY160 3.9 0.9 1.0
CB E:CYS177 4.1 0.9 1.0
CB E:CYS161 4.1 0.9 1.0
CB E:THR157 4.2 0.9 1.0
CA E:CYS161 4.3 0.9 1.0
N E:CYS161 4.3 0.9 1.0
CA E:LEU159 4.5 0.9 1.0
N E:GLY160 4.6 0.9 1.0
CB E:HIS178 4.9 0.8 1.0
CA E:GLY160 4.9 0.9 1.0
N E:HIS178 4.9 0.8 1.0
N E:LEU159 5.0 0.9 1.0

Iron binding site 3 out of 5 in 7rjd

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Iron binding site 3 out of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in C 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 C 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 4 out of 5 in 7rjd

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Iron binding site 4 out of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in C 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 C 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 5 out of 5 in 7rjd

Go back to Iron Binding Sites List in 7rjd
Iron binding site 5 out of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in C 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 C 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

Reference:

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.
Page generated: Thu Aug 8 23:50:20 2024

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