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Iron in PDB 6fo0: Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121

Enzymatic activity of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121

All present enzymatic activity of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121:
1.10.2.2;

Other elements in 6fo0:

The structure of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121 also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121 (pdb code 6fo0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121, PDB code: 6fo0:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 6fo0

Go back to Iron Binding Sites List in 6fo0
Iron binding site 1 out of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121 within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Fe501

b:53.1
occ:1.00
FE P:HEM501 0.0 53.1 1.0
ND P:HEM501 1.9 53.1 1.0
NA P:HEM501 2.0 53.1 1.0
NC P:HEM501 2.1 53.1 1.0
HE2 P:HIS182 2.1 55.5 1.0
HE1 P:HIS83 2.1 53.2 1.0
NB P:HEM501 2.2 53.1 1.0
NE2 P:HIS182 2.8 55.5 1.0
C4D P:HEM501 2.9 53.1 1.0
C1D P:HEM501 2.9 53.1 1.0
CE1 P:HIS83 2.9 53.2 1.0
C1A P:HEM501 3.0 53.1 1.0
C4A P:HEM501 3.0 53.1 1.0
C4C P:HEM501 3.0 53.1 1.0
C1C P:HEM501 3.1 53.1 1.0
C1B P:HEM501 3.2 53.1 1.0
C4B P:HEM501 3.3 53.1 1.0
CHA P:HEM501 3.3 53.1 1.0
CHD P:HEM501 3.3 53.1 1.0
CHB P:HEM501 3.4 53.1 1.0
HA3 P:GLY130 3.4 56.5 1.0
HD2 P:HIS182 3.5 55.5 1.0
CD2 P:HIS182 3.5 55.5 1.0
CHC P:HEM501 3.6 53.1 1.0
HA2 P:GLY130 3.6 56.5 1.0
NE2 P:HIS83 3.7 53.2 1.0
ND1 P:HIS83 3.8 53.2 1.0
CE1 P:HIS182 3.8 55.5 1.0
HD1 P:HIS83 3.9 53.2 1.0
HD12 P:LEU133 3.9 56.0 1.0
CA P:GLY130 4.0 56.5 1.0
C3D P:HEM501 4.0 53.1 1.0
C2D P:HEM501 4.0 53.1 1.0
HE1 P:HIS182 4.1 55.5 1.0
HE21 P:GLN44 4.1 54.0 1.0
C3A P:HEM501 4.2 53.1 1.0
C2A P:HEM501 4.2 53.1 1.0
C3C P:HEM501 4.3 53.1 1.0
C2C P:HEM501 4.3 53.1 1.0
O P:GLY130 4.3 56.5 1.0
HD11 P:LEU133 4.4 56.0 1.0
C2B P:HEM501 4.4 53.1 1.0
C3B P:HEM501 4.5 53.1 1.0
CD1 P:LEU133 4.6 56.0 1.0
C P:GLY130 4.6 56.5 1.0
CG P:HIS182 4.7 55.5 1.0
ND1 P:HIS182 4.8 55.5 1.0
CD2 P:HIS83 4.9 53.2 1.0
CG P:HIS83 4.9 53.2 1.0
NE2 P:GLN44 5.0 54.0 1.0

Iron binding site 2 out of 6 in 6fo0

Go back to Iron Binding Sites List in 6fo0
Iron binding site 2 out of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121 within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Fe502

b:60.8
occ:1.00
FE P:HEM502 0.0 60.8 1.0
NB P:HEM502 1.9 60.8 1.0
NC P:HEM502 2.0 60.8 1.0
NA P:HEM502 2.0 60.8 1.0
HE2 P:HIS196 2.2 61.8 1.0
ND P:HEM502 2.2 60.8 1.0
HE2 P:HIS97 2.2 61.7 1.0
NE2 P:HIS196 2.7 61.8 1.0
NE2 P:HIS97 2.7 61.7 1.0
C4B P:HEM502 2.9 60.8 1.0
C1C P:HEM502 2.9 60.8 1.0
C1B P:HEM502 3.0 60.8 1.0
C4A P:HEM502 3.0 60.8 1.0
C1A P:HEM502 3.0 60.8 1.0
C4C P:HEM502 3.1 60.8 1.0
C1D P:HEM502 3.2 60.8 1.0
C4D P:HEM502 3.2 60.8 1.0
HD2 P:HIS196 3.3 61.8 1.0
CHC P:HEM502 3.3 60.8 1.0
CD2 P:HIS196 3.3 61.8 1.0
CHB P:HEM502 3.3 60.8 1.0
CD2 P:HIS97 3.4 61.7 1.0
HD2 P:HIS97 3.5 61.7 1.0
CHD P:HEM502 3.5 60.8 1.0
CHA P:HEM502 3.5 60.8 1.0
CE1 P:HIS97 3.6 61.7 1.0
CE1 P:HIS196 3.8 61.8 1.0
HE1 P:HIS97 3.9 61.7 1.0
HE1 P:HIS196 4.1 61.8 1.0
C2C P:HEM502 4.1 60.8 1.0
C3B P:HEM502 4.1 60.8 1.0
C3A P:HEM502 4.2 60.8 1.0
C2B P:HEM502 4.2 60.8 1.0
C2A P:HEM502 4.2 60.8 1.0
C3C P:HEM502 4.2 60.8 1.0
HD12 P:LEU37 4.3 60.2 1.0
C2D P:HEM502 4.4 60.8 1.0
C3D P:HEM502 4.4 60.8 1.0
CG P:HIS97 4.5 61.7 1.0
CG P:HIS196 4.5 61.8 1.0
HA2 P:GLY34 4.5 60.9 1.0
ND1 P:HIS97 4.6 61.7 1.0
ND1 P:HIS196 4.7 61.8 1.0
HD12 P:LEU119 4.8 62.0 1.0
HH21 P:ARG100 4.9 62.3 1.0
O P:GLY34 4.9 60.9 1.0

Iron binding site 3 out of 6 in 6fo0

Go back to Iron Binding Sites List in 6fo0
Iron binding site 3 out of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121 within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Fe501

b:50.7
occ:1.00
FE Q:HEC501 0.0 50.7 1.0
NA Q:HEC501 1.9 50.7 1.0
ND Q:HEC501 2.0 50.7 1.0
NC Q:HEC501 2.1 50.7 1.0
NB Q:HEC501 2.1 50.7 1.0
HE2 Q:MET160 2.4 51.6 1.0
NE2 Q:HIS41 2.6 52.0 1.0
HE1 Q:HIS41 2.6 52.0 1.0
HE1 Q:MET160 2.6 51.6 1.0
CE Q:MET160 2.7 51.6 1.0
CE1 Q:HIS41 2.9 52.0 1.0
C1A Q:HEC501 2.9 50.7 1.0
C4D Q:HEC501 3.0 50.7 1.0
SD Q:MET160 3.0 51.6 1.0
C1D Q:HEC501 3.0 50.7 1.0
C4A Q:HEC501 3.0 50.7 1.0
C4C Q:HEC501 3.0 50.7 1.0
C1B Q:HEC501 3.1 50.7 1.0
C4B Q:HEC501 3.1 50.7 1.0
C1C Q:HEC501 3.1 50.7 1.0
CHA Q:HEC501 3.2 50.7 1.0
CHD Q:HEC501 3.4 50.7 1.0
CHB Q:HEC501 3.5 50.7 1.0
CHC Q:HEC501 3.5 50.7 1.0
HE3 Q:MET160 3.7 51.6 1.0
CD2 Q:HIS41 3.9 52.0 1.0
C2A Q:HEC501 4.1 50.7 1.0
ND1 Q:HIS41 4.2 52.0 1.0
C3D Q:HEC501 4.2 50.7 1.0
C2D Q:HEC501 4.2 50.7 1.0
C3A Q:HEC501 4.2 50.7 1.0
C3C Q:HEC501 4.2 50.7 1.0
C2B Q:HEC501 4.3 50.7 1.0
C2C Q:HEC501 4.3 50.7 1.0
C3B Q:HEC501 4.3 50.7 1.0
HD2 Q:HIS41 4.3 52.0 1.0
HB3 Q:PRO110 4.5 52.8 1.0
CG Q:HIS41 4.7 52.0 1.0
CG Q:MET160 4.7 51.6 1.0
HD1 Q:HIS41 4.8 52.0 1.0
HG3 Q:PRO163 4.8 53.3 1.0
HG2 Q:MET160 4.8 51.6 1.0
HB3 Q:PRO163 4.9 53.3 1.0

Iron binding site 4 out of 6 in 6fo0

Go back to Iron Binding Sites List in 6fo0
Iron binding site 4 out of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe501

b:54.8
occ:1.00
FE C:HEM501 0.0 54.8 1.0
ND C:HEM501 1.9 54.8 1.0
NA C:HEM501 2.0 54.8 1.0
NC C:HEM501 2.1 54.8 1.0
HE2 C:HIS182 2.1 57.6 1.0
HE1 C:HIS83 2.1 54.8 1.0
NB C:HEM501 2.2 54.8 1.0
NE2 C:HIS182 2.8 57.6 1.0
C4D C:HEM501 2.9 54.8 1.0
C1D C:HEM501 2.9 54.8 1.0
CE1 C:HIS83 2.9 54.8 1.0
C1A C:HEM501 3.0 54.8 1.0
C4A C:HEM501 3.0 54.8 1.0
C4C C:HEM501 3.0 54.8 1.0
C1C C:HEM501 3.1 54.8 1.0
C1B C:HEM501 3.2 54.8 1.0
C4B C:HEM501 3.3 54.8 1.0
CHA C:HEM501 3.3 54.8 1.0
CHD C:HEM501 3.3 54.8 1.0
CHB C:HEM501 3.4 54.8 1.0
HA3 C:GLY130 3.5 58.1 1.0
HD2 C:HIS182 3.5 57.6 1.0
CD2 C:HIS182 3.5 57.6 1.0
CHC C:HEM501 3.6 54.8 1.0
HA2 C:GLY130 3.6 58.1 1.0
NE2 C:HIS83 3.7 54.8 1.0
ND1 C:HIS83 3.8 54.8 1.0
CE1 C:HIS182 3.9 57.6 1.0
HD1 C:HIS83 3.9 54.8 1.0
HD12 C:LEU133 3.9 57.8 1.0
C3D C:HEM501 4.0 54.8 1.0
C2D C:HEM501 4.0 54.8 1.0
CA C:GLY130 4.0 58.1 1.0
HE1 C:HIS182 4.1 57.6 1.0
HE21 C:GLN44 4.1 56.1 1.0
C3A C:HEM501 4.2 54.8 1.0
C2A C:HEM501 4.2 54.8 1.0
C3C C:HEM501 4.3 54.8 1.0
C2C C:HEM501 4.3 54.8 1.0
O C:GLY130 4.4 58.1 1.0
HD11 C:LEU133 4.4 57.8 1.0
C2B C:HEM501 4.4 54.8 1.0
C3B C:HEM501 4.5 54.8 1.0
CD1 C:LEU133 4.6 57.8 1.0
C C:GLY130 4.7 58.1 1.0
CG C:HIS182 4.7 57.6 1.0
ND1 C:HIS182 4.9 57.6 1.0
CD2 C:HIS83 4.9 54.8 1.0
CG C:HIS83 4.9 54.8 1.0
NE2 C:GLN44 5.0 56.1 1.0
HD13 C:LEU133 5.0 57.8 1.0

Iron binding site 5 out of 6 in 6fo0

Go back to Iron Binding Sites List in 6fo0
Iron binding site 5 out of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe502

b:61.5
occ:1.00
FE C:HEM502 0.0 61.5 1.0
NB C:HEM502 1.9 61.5 1.0
NC C:HEM502 2.0 61.5 1.0
NA C:HEM502 2.0 61.5 1.0
HE2 C:HIS196 2.2 63.5 1.0
ND C:HEM502 2.2 61.5 1.0
HE2 C:HIS97 2.2 62.5 1.0
NE2 C:HIS97 2.7 62.5 1.0
NE2 C:HIS196 2.8 63.5 1.0
C4B C:HEM502 2.9 61.5 1.0
C1C C:HEM502 2.9 61.5 1.0
C1B C:HEM502 3.0 61.5 1.0
C4A C:HEM502 3.0 61.5 1.0
C1A C:HEM502 3.0 61.5 1.0
C4C C:HEM502 3.1 61.5 1.0
C1D C:HEM502 3.2 61.5 1.0
C4D C:HEM502 3.2 61.5 1.0
HD2 C:HIS196 3.3 63.5 1.0
CHC C:HEM502 3.3 61.5 1.0
CD2 C:HIS196 3.3 63.5 1.0
CHB C:HEM502 3.3 61.5 1.0
CD2 C:HIS97 3.4 62.5 1.0
CHD C:HEM502 3.5 61.5 1.0
HD2 C:HIS97 3.5 62.5 1.0
CHA C:HEM502 3.5 61.5 1.0
CE1 C:HIS97 3.6 62.5 1.0
CE1 C:HIS196 3.8 63.5 1.0
HE1 C:HIS97 3.9 62.5 1.0
HE1 C:HIS196 4.1 63.5 1.0
C3B C:HEM502 4.1 61.5 1.0
C2C C:HEM502 4.1 61.5 1.0
C3A C:HEM502 4.2 61.5 1.0
C2B C:HEM502 4.2 61.5 1.0
C2A C:HEM502 4.2 61.5 1.0
C3C C:HEM502 4.2 61.5 1.0
HD12 C:LEU37 4.3 61.6 1.0
C2D C:HEM502 4.4 61.5 1.0
C3D C:HEM502 4.4 61.5 1.0
CG C:HIS97 4.5 62.5 1.0
CG C:HIS196 4.5 63.5 1.0
HA2 C:GLY34 4.5 62.2 1.0
ND1 C:HIS97 4.6 62.5 1.0
ND1 C:HIS196 4.7 63.5 1.0
HD12 C:LEU119 4.8 63.2 1.0
HH21 C:ARG100 4.9 63.3 1.0
O C:GLY34 4.9 62.2 1.0

Iron binding site 6 out of 6 in 6fo0

Go back to Iron Binding Sites List in 6fo0
Iron binding site 6 out of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe501

b:50.7
occ:1.00
FE D:HEC501 0.0 50.7 1.0
HE1 D:MET160 1.7 55.9 1.0
NA D:HEC501 1.9 50.7 1.0
ND D:HEC501 2.0 50.7 1.0
NC D:HEC501 2.1 50.7 1.0
NB D:HEC501 2.1 50.7 1.0
NE2 D:HIS41 2.5 57.3 1.0
CE D:MET160 2.6 55.9 1.0
HE2 D:MET160 2.8 55.9 1.0
C1A D:HEC501 2.9 50.7 1.0
HE1 D:HIS41 2.9 57.3 1.0
C4D D:HEC501 3.0 50.7 1.0
C1D D:HEC501 3.0 50.7 1.0
C4A D:HEC501 3.0 50.7 1.0
C4C D:HEC501 3.0 50.7 1.0
CE1 D:HIS41 3.0 57.3 1.0
C1B D:HEC501 3.1 50.7 1.0
SD D:MET160 3.1 55.9 1.0
C4B D:HEC501 3.1 50.7 1.0
C1C D:HEC501 3.1 50.7 1.0
CHA D:HEC501 3.2 50.7 1.0
HE3 D:MET160 3.3 55.9 1.0
CHD D:HEC501 3.4 50.7 1.0
CHB D:HEC501 3.4 50.7 1.0
CHC D:HEC501 3.5 50.7 1.0
CD2 D:HIS41 3.7 57.3 1.0
HD2 D:HIS41 4.0 57.3 1.0
C2A D:HEC501 4.1 50.7 1.0
C3D D:HEC501 4.2 50.7 1.0
C3A D:HEC501 4.2 50.7 1.0
C2D D:HEC501 4.2 50.7 1.0
C3C D:HEC501 4.2 50.7 1.0
C2B D:HEC501 4.3 50.7 1.0
ND1 D:HIS41 4.3 57.3 1.0
C2C D:HEC501 4.3 50.7 1.0
C3B D:HEC501 4.3 50.7 1.0
HG3 D:PRO163 4.4 59.1 1.0
HB3 D:PRO163 4.4 59.1 1.0
CG D:HIS41 4.6 57.3 1.0
HB3 D:PRO110 4.7 59.2 1.0
CG D:MET160 4.8 55.9 1.0
HG2 D:MET160 4.9 55.9 1.0
HD1 D:HIS41 4.9 57.3 1.0

Reference:

K.Amporndanai, R.M.Johnson, P.M.O'neill, C.W.G.Fishwick, A.H.Jamson, S.Rawson, S.P.Muench, S.S.Hasnain, S.V.Antonyuk. X-Ray and Cryo-Em Structures of Inhibitor-Bound CYTOCHROMEBC1COMPLEXES For Structure-Based Drug Discovery. Iucrj V. 5 200 2018.
ISSN: ESSN 2052-2525
PubMed: 29765610
DOI: 10.1107/S2052252518001616
Page generated: Sun Dec 13 16:26:11 2020

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