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Iron in PDB 6fo6: Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Inhibitor SCR0911

Enzymatic activity of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Inhibitor SCR0911

All present enzymatic activity of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Inhibitor SCR0911:
1.10.2.2;

Other elements in 6fo6:

The structure of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Inhibitor SCR0911 also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Inhibitor SCR0911 (pdb code 6fo6). 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 Inhibitor SCR0911, PDB code: 6fo6:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 6fo6

Go back to Iron Binding Sites List in 6fo6
Iron binding site 1 out of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Inhibitor SCR0911


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 Inhibitor SCR0911 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe501

b:42.6
occ:1.00
 FE C:HEM501 0.0 42.6 1.0
NB C:HEM501 2.0 42.6 1.0
NA C:HEM501 2.0 42.6 1.0
NC C:HEM501 2.1 42.6 1.0
ND C:HEM501 2.2 42.6 1.0
NE2 C:HIS83 2.6 42.7 1.0
NE2 C:HIS182 2.8 42.9 1.0
C4A C:HEM501 2.9 42.6 1.0
C1B C:HEM501 2.9 42.6 1.0
C1A C:HEM501 3.0 42.6 1.0
C4B C:HEM501 3.0 42.6 1.0
C1C C:HEM501 3.0 42.6 1.0
CE1 C:HIS182 3.1 42.9 1.0
C4D C:HEM501 3.1 42.6 1.0
CE1 C:HIS83 3.2 42.7 1.0
C4C C:HEM501 3.2 42.6 1.0
C1D C:HEM501 3.2 42.6 1.0
CHB C:HEM501 3.3 42.6 1.0
CHC C:HEM501 3.4 42.6 1.0
CHA C:HEM501 3.4 42.6 1.0
CD2 C:HIS83 3.6 42.7 1.0
CHD C:HEM501 3.6 42.6 1.0
C3A C:HEM501 4.0 42.6 1.0
CD2 C:HIS182 4.1 42.9 1.0
C2A C:HEM501 4.1 42.6 1.0
NE2 C:GLN44 4.1 41.8 1.0
C2B C:HEM501 4.2 42.6 1.0
C3B C:HEM501 4.2 42.6 1.0
ND1 C:HIS83 4.2 42.7 1.0
C2C C:HEM501 4.3 42.6 1.0
C3C C:HEM501 4.3 42.6 1.0
C3D C:HEM501 4.4 42.6 1.0
ND1 C:HIS182 4.4 42.9 1.0
C2D C:HEM501 4.4 42.6 1.0
CG C:HIS83 4.5 42.7 1.0
CG C:HIS182 4.9 42.9 1.0
CG C:GLN44 4.9 41.8 1.0
CA C:GLY130 4.9 45.7 1.0

Iron binding site 2 out of 6 in 6fo6

Go back to Iron Binding Sites List in 6fo6
Iron binding site 2 out of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Inhibitor SCR0911


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 Inhibitor SCR0911 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe502

b:43.5
occ:1.00
 FE C:HEM502 0.0 43.5 1.0
NB C:HEM502 2.0 43.5 1.0
NA C:HEM502 2.0 43.5 1.0
NC C:HEM502 2.0 43.5 1.0
ND C:HEM502 2.1 43.5 1.0
NE2 C:HIS196 2.7 42.1 1.0
NE2 C:HIS97 2.8 44.7 1.0
C1B C:HEM502 2.9 43.5 1.0
C4B C:HEM502 3.0 43.5 1.0
C4A C:HEM502 3.0 43.5 1.0
C1C C:HEM502 3.0 43.5 1.0
C1A C:HEM502 3.0 43.5 1.0
CD2 C:HIS196 3.1 42.1 1.0
C4C C:HEM502 3.1 43.5 1.0
C4D C:HEM502 3.1 43.5 1.0
C1D C:HEM502 3.2 43.5 1.0
CHB C:HEM502 3.3 43.5 1.0
CHC C:HEM502 3.3 43.5 1.0
CHA C:HEM502 3.4 43.5 1.0
CHD C:HEM502 3.5 43.5 1.0
CE1 C:HIS97 3.5 44.7 1.0
CD2 C:HIS97 3.6 44.7 1.0
CE1 C:HIS196 3.8 42.1 1.0
C2B C:HEM502 4.1 43.5 1.0
C3B C:HEM502 4.1 43.5 1.0
C3A C:HEM502 4.2 43.5 1.0
C2A C:HEM502 4.2 43.5 1.0
C2C C:HEM502 4.2 43.5 1.0
C3C C:HEM502 4.3 43.5 1.0
CG C:HIS196 4.3 42.1 1.0
C3D C:HEM502 4.3 43.5 1.0
C2D C:HEM502 4.4 43.5 1.0
ND1 C:HIS97 4.6 44.7 1.0
ND1 C:HIS196 4.6 42.1 1.0
CG C:HIS97 4.6 44.7 1.0
CD1 C:LEU119 4.9 44.1 1.0

Iron binding site 3 out of 6 in 6fo6

Go back to Iron Binding Sites List in 6fo6
Iron binding site 3 out of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Inhibitor SCR0911


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 Inhibitor SCR0911 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe501

b:78.9
occ:1.00
 FE D:HEC501 0.0 78.9 1.0
NC D:HEC501 2.0 78.9 1.0
NA D:HEC501 2.0 78.9 1.0
ND D:HEC501 2.0 78.9 1.0
NB D:HEC501 2.1 78.9 1.0
NE2 D:HIS41 2.7 79.4 1.0
SD D:MET160 2.9 88.4 1.0
C1B D:HEC501 2.9 78.9 1.0
C4A D:HEC501 2.9 78.9 1.0
CE1 D:HIS41 3.0 79.4 1.0
C4C D:HEC501 3.0 78.9 1.0
C1A D:HEC501 3.0 78.9 1.0
C1D D:HEC501 3.0 78.9 1.0
C4B D:HEC501 3.0 78.9 1.0
C4D D:HEC501 3.1 78.9 1.0
C1C D:HEC501 3.1 78.9 1.0
CG D:MET160 3.3 88.4 1.0
CHB D:HEC501 3.3 78.9 1.0
CHD D:HEC501 3.4 78.9 1.0
CHA D:HEC501 3.4 78.9 1.0
CHC D:HEC501 3.5 78.9 1.0
CB D:MET160 3.9 88.4 1.0
CD2 D:HIS41 4.0 79.4 1.0
C2B D:HEC501 4.1 78.9 1.0
C3A D:HEC501 4.1 78.9 1.0
C3B D:HEC501 4.1 78.9 1.0
C2A D:HEC501 4.1 78.9 1.0
C3C D:HEC501 4.2 78.9 1.0
C2D D:HEC501 4.3 78.9 1.0
C3D D:HEC501 4.3 78.9 1.0
C2C D:HEC501 4.3 78.9 1.0
ND1 D:HIS41 4.3 79.4 1.0
CE D:MET160 4.7 88.4 1.0
CG D:HIS41 4.8 79.4 1.0
CA D:MET160 4.9 88.4 1.0

Iron binding site 4 out of 6 in 6fo6

Go back to Iron Binding Sites List in 6fo6
Iron binding site 4 out of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Inhibitor SCR0911


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 Inhibitor SCR0911 within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Fe501

b:35.8
occ:1.00
 FE P:HEM501 0.0 35.8 1.0
NA P:HEM501 1.9 35.8 1.0
NB P:HEM501 2.0 35.8 1.0
NC P:HEM501 2.1 35.8 1.0
ND P:HEM501 2.2 35.8 1.0
NE2 P:HIS182 2.6 36.7 1.0
NE2 P:HIS83 2.7 36.2 1.0
C4A P:HEM501 2.9 35.8 1.0
C1B P:HEM501 2.9 35.8 1.0
C1A P:HEM501 2.9 35.8 1.0
C1C P:HEM501 3.0 35.8 1.0
CE1 P:HIS182 3.0 36.7 1.0
C4B P:HEM501 3.0 35.8 1.0
C4D P:HEM501 3.1 35.8 1.0
C4C P:HEM501 3.1 35.8 1.0
CE1 P:HIS83 3.2 36.2 1.0
CHB P:HEM501 3.3 35.8 1.0
C1D P:HEM501 3.3 35.8 1.0
CHC P:HEM501 3.3 35.8 1.0
CHA P:HEM501 3.4 35.8 1.0
CHD P:HEM501 3.6 35.8 1.0
CD2 P:HIS83 3.7 36.2 1.0
CD2 P:HIS182 3.9 36.7 1.0
C3A P:HEM501 4.0 35.8 1.0
C2A P:HEM501 4.1 35.8 1.0
C2B P:HEM501 4.2 35.8 1.0
C3B P:HEM501 4.2 35.8 1.0
C2C P:HEM501 4.2 35.8 1.0
NE2 P:GLN44 4.3 35.4 1.0
C3C P:HEM501 4.3 35.8 1.0
ND1 P:HIS182 4.3 36.7 1.0
ND1 P:HIS83 4.3 36.2 1.0
C3D P:HEM501 4.4 35.8 1.0
C2D P:HEM501 4.5 35.8 1.0
CG P:HIS83 4.5 36.2 1.0
CG P:HIS182 4.7 36.7 1.0
CA P:GLY130 4.9 39.2 1.0

Iron binding site 5 out of 6 in 6fo6

Go back to Iron Binding Sites List in 6fo6
Iron binding site 5 out of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Inhibitor SCR0911


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 Inhibitor SCR0911 within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Fe502

b:37.1
occ:1.00
 FE P:HEM502 0.0 37.1 1.0
NB P:HEM502 2.0 37.1 1.0
NA P:HEM502 2.0 37.1 1.0
NC P:HEM502 2.0 37.1 1.0
ND P:HEM502 2.1 37.1 1.0
NE2 P:HIS196 2.7 35.9 1.0
NE2 P:HIS97 2.8 38.3 1.0
C1B P:HEM502 2.9 37.1 1.0
C4B P:HEM502 2.9 37.1 1.0
C4A P:HEM502 3.0 37.1 1.0
C1C P:HEM502 3.0 37.1 1.0
C1A P:HEM502 3.0 37.1 1.0
CD2 P:HIS196 3.1 35.9 1.0
C4C P:HEM502 3.1 37.1 1.0
C4D P:HEM502 3.1 37.1 1.0
C1D P:HEM502 3.2 37.1 1.0
CHB P:HEM502 3.3 37.1 1.0
CHC P:HEM502 3.3 37.1 1.0
CHA P:HEM502 3.4 37.1 1.0
CHD P:HEM502 3.5 37.1 1.0
CE1 P:HIS97 3.5 38.3 1.0
CD2 P:HIS97 3.6 38.3 1.0
CE1 P:HIS196 3.8 35.9 1.0
C2B P:HEM502 4.1 37.1 1.0
C3B P:HEM502 4.1 37.1 1.0
C3A P:HEM502 4.2 37.1 1.0
C2A P:HEM502 4.2 37.1 1.0
C2C P:HEM502 4.2 37.1 1.0
C3C P:HEM502 4.3 37.1 1.0
CG P:HIS196 4.3 35.9 1.0
C3D P:HEM502 4.3 37.1 1.0
C2D P:HEM502 4.4 37.1 1.0
ND1 P:HIS97 4.6 38.3 1.0
ND1 P:HIS196 4.6 35.9 1.0
CG P:HIS97 4.6 38.3 1.0
CD1 P:LEU119 4.9 38.1 1.0

Iron binding site 6 out of 6 in 6fo6

Go back to Iron Binding Sites List in 6fo6
Iron binding site 6 out of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Inhibitor SCR0911


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 Inhibitor SCR0911 within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Fe501

b:77.2
occ:1.00
 FE Q:HEC501 0.0 77.2 1.0
NC Q:HEC501 2.0 77.2 1.0
NA Q:HEC501 2.0 77.2 1.0
ND Q:HEC501 2.0 77.2 1.0
NB Q:HEC501 2.1 77.2 1.0
NE2 Q:HIS41 2.7 77.5 1.0
C4A Q:HEC501 2.9 77.2 1.0
C1B Q:HEC501 2.9 77.2 1.0
SD Q:MET160 3.0 86.5 1.0
CE1 Q:HIS41 3.0 77.5 1.0
C1A Q:HEC501 3.0 77.2 1.0
C4C Q:HEC501 3.0 77.2 1.0
C1D Q:HEC501 3.0 77.2 1.0
C4B Q:HEC501 3.1 77.2 1.0
C4D Q:HEC501 3.1 77.2 1.0
C1C Q:HEC501 3.1 77.2 1.0
CG Q:MET160 3.3 86.5 1.0
CHB Q:HEC501 3.3 77.2 1.0
CHD Q:HEC501 3.4 77.2 1.0
CHA Q:HEC501 3.4 77.2 1.0
CHC Q:HEC501 3.5 77.2 1.0
CB Q:MET160 3.9 86.5 1.0
CD2 Q:HIS41 4.0 77.5 1.0
C2B Q:HEC501 4.1 77.2 1.0
C3A Q:HEC501 4.1 77.2 1.0
C3B Q:HEC501 4.1 77.2 1.0
C2A Q:HEC501 4.1 77.2 1.0
C3C Q:HEC501 4.2 77.2 1.0
C2D Q:HEC501 4.3 77.2 1.0
C2C Q:HEC501 4.3 77.2 1.0
C3D Q:HEC501 4.3 77.2 1.0
ND1 Q:HIS41 4.3 77.5 1.0
CE Q:MET160 4.7 86.5 1.0
CG Q:HIS41 4.8 77.5 1.0
CA Q:MET160 4.8 86.5 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: Tue Aug 6 18:31:41 2024

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