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Iron in PDB 1l0l: Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone

Enzymatic activity of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone

All present enzymatic activity of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone:
1.10.2.2;

Protein crystallography data

The structure of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone, PDB code: 1l0l was solved by X.Gao, X.Wen, C.A.Yu, L.Esser, S.Tsao, B.Quinn, L.Zhang, L.Yu, D.Xia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 2.35
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 154.094, 154.094, 591.839, 90.00, 90.00, 90.00
R / Rfree (%) 25.9 / 30.6

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone (pdb code 1l0l). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone, PDB code: 1l0l:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in 1l0l

Go back to Iron Binding Sites List in 1l0l
Iron binding site 1 out of 5 in the Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe609

b:22.1
occ:1.00
FE C:HEM609 0.0 22.1 1.0
ND C:HEM609 2.0 25.6 1.0
NB C:HEM609 2.0 26.1 1.0
NC C:HEM609 2.0 23.6 1.0
NA C:HEM609 2.1 21.3 1.0
NE2 C:HIS196 2.2 15.8 1.0
NE2 C:HIS97 2.2 14.3 1.0
CD2 C:HIS97 2.9 21.6 1.0
CD2 C:HIS196 3.0 17.9 1.0
C1D C:HEM609 3.1 24.9 1.0
C1B C:HEM609 3.1 22.4 1.0
C4C C:HEM609 3.1 25.3 1.0
C4A C:HEM609 3.1 27.7 1.0
C4B C:HEM609 3.1 22.2 1.0
C4D C:HEM609 3.1 24.9 1.0
C1C C:HEM609 3.1 20.0 1.0
C1A C:HEM609 3.1 17.1 1.0
CE1 C:HIS196 3.2 13.3 1.0
CE1 C:HIS97 3.4 20.9 1.0
CHD C:HEM609 3.6 29.4 1.0
CHB C:HEM609 3.6 23.5 1.0
CHA C:HEM609 3.6 15.9 1.0
CHC C:HEM609 3.6 17.8 1.0
C2D C:HEM609 4.2 23.6 1.0
C2B C:HEM609 4.2 21.6 1.0
C3B C:HEM609 4.2 19.1 1.0
C3C C:HEM609 4.2 22.4 1.0
C2C C:HEM609 4.2 20.2 1.0
C3D C:HEM609 4.2 27.4 1.0
CG C:HIS97 4.2 20.4 1.0
CG C:HIS196 4.2 20.0 1.0
ND1 C:HIS196 4.3 20.6 1.0
C3A C:HEM609 4.4 27.0 1.0
C2A C:HEM609 4.4 23.7 1.0
ND1 C:HIS97 4.4 22.3 1.0

Iron binding site 2 out of 5 in 1l0l

Go back to Iron Binding Sites List in 1l0l
Iron binding site 2 out of 5 in the Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe610

b:20.5
occ:1.00
FE C:HEM610 0.0 20.5 1.0
NB C:HEM610 2.0 26.3 1.0
ND C:HEM610 2.0 23.6 1.0
NC C:HEM610 2.0 29.2 1.0
NE2 C:HIS182 2.1 16.6 1.0
NE2 C:HIS83 2.1 15.3 1.0
NA C:HEM610 2.1 22.0 1.0
CE1 C:HIS182 2.9 12.6 1.0
C1B C:HEM610 3.1 23.9 1.0
C4D C:HEM610 3.1 22.6 1.0
C4C C:HEM610 3.1 29.7 1.0
C4B C:HEM610 3.1 28.0 1.0
CE1 C:HIS83 3.1 15.6 1.0
C1C C:HEM610 3.1 27.2 1.0
C1D C:HEM610 3.1 25.0 1.0
C4A C:HEM610 3.1 23.7 1.0
C1A C:HEM610 3.1 18.0 1.0
CD2 C:HIS83 3.1 19.9 1.0
CD2 C:HIS182 3.2 13.7 1.0
CHB C:HEM610 3.6 24.9 1.0
CHA C:HEM610 3.6 19.2 1.0
CHD C:HEM610 3.6 26.9 1.0
CHC C:HEM610 3.6 27.1 1.0
ND1 C:HIS182 4.1 17.0 1.0
C3C C:HEM610 4.2 27.5 1.0
C2C C:HEM610 4.2 27.1 1.0
C2B C:HEM610 4.2 28.4 1.0
C3B C:HEM610 4.2 29.4 1.0
C3D C:HEM610 4.2 23.4 1.0
ND1 C:HIS83 4.2 16.3 1.0
C2D C:HEM610 4.2 25.2 1.0
CG C:HIS83 4.3 19.8 1.0
CG C:HIS182 4.3 17.3 1.0
C3A C:HEM610 4.4 19.7 1.0
C2A C:HEM610 4.4 16.9 1.0
CA C:GLY130 4.9 21.2 1.0
OE1 C:GLN44 4.9 24.3 1.0
CA C:GLY48 5.0 20.2 1.0

Iron binding site 3 out of 5 in 1l0l

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Iron binding site 3 out of 5 in the Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe242

b:15.1
occ:1.00
FE D:HEM242 0.0 15.1 1.0
NC D:HEM242 1.9 15.8 1.0
ND D:HEM242 2.0 14.8 1.0
NA D:HEM242 2.1 12.9 1.0
NB D:HEM242 2.1 15.4 1.0
NE2 D:HIS41 2.2 24.8 1.0
SD D:MET160 2.7 26.3 1.0
C4C D:HEM242 3.0 15.9 1.0
C1C D:HEM242 3.0 17.9 1.0
C1D D:HEM242 3.0 15.3 1.0
C4D D:HEM242 3.0 13.4 1.0
C1A D:HEM242 3.1 13.8 1.0
C4B D:HEM242 3.1 15.7 1.0
C4A D:HEM242 3.1 11.5 1.0
CE D:MET160 3.2 27.2 1.0
C1B D:HEM242 3.2 16.3 1.0
CE1 D:HIS41 3.2 26.3 1.0
CD2 D:HIS41 3.2 25.4 1.0
CHD D:HEM242 3.3 15.3 1.0
CHA D:HEM242 3.4 15.1 1.0
CHC D:HEM242 3.4 19.9 1.0
CHB D:HEM242 3.5 12.2 1.0
CG D:MET160 3.5 23.2 1.0
C3C D:HEM242 4.2 15.5 1.0
CB D:MET160 4.2 22.9 1.0
C2C D:HEM242 4.2 15.3 1.0
C2D D:HEM242 4.2 15.4 1.0
C3D D:HEM242 4.3 15.1 1.0
ND1 D:HIS41 4.3 27.4 1.0
C2A D:HEM242 4.3 9.9 1.0
C3A D:HEM242 4.3 9.9 1.0
C3B D:HEM242 4.3 15.4 1.0
CG D:HIS41 4.3 25.4 1.0
C2B D:HEM242 4.4 17.4 1.0

Iron binding site 4 out of 5 in 1l0l

Go back to Iron Binding Sites List in 1l0l
Iron binding site 4 out of 5 in the Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe197

b:20.7
occ:1.00
FE1 E:FES197 0.0 20.7 1.0
SG E:CYS158 2.0 17.0 1.0
S1 E:FES197 2.2 20.0 1.0
S2 E:FES197 2.2 21.5 1.0
SG E:CYS139 2.7 7.5 1.0
FE2 E:FES197 2.7 14.1 1.0
CB E:CYS158 3.4 18.6 1.0
CB E:CYS144 3.5 20.6 1.0
CB E:CYS139 3.7 11.4 1.0
O E:PRO159 4.0 25.5 1.0
O E:CYS144 4.1 19.4 1.0
SG E:CYS144 4.1 24.4 1.0
CB E:HIS141 4.1 13.7 1.0
N E:CYS144 4.5 17.9 1.0
ND1 E:HIS141 4.5 15.8 1.0
CA E:CYS144 4.5 18.8 1.0
NE2 E:HIS161 4.5 32.6 1.0
CB E:SER163 4.6 37.0 1.0
CA E:CYS158 4.6 19.8 1.0
CE1 E:HIS161 4.7 36.6 1.0
C E:CYS158 4.7 20.6 1.0
N E:LEU142 4.7 13.7 1.0
O E:CYS158 4.8 19.3 1.0
CB E:CYS160 4.8 27.4 1.0
CG E:HIS141 4.8 16.1 1.0
C E:CYS144 4.8 17.8 1.0
C E:PRO159 4.8 25.2 1.0

Iron binding site 5 out of 5 in 1l0l

Go back to Iron Binding Sites List in 1l0l
Iron binding site 5 out of 5 in the Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe197

b:14.1
occ:1.00
FE2 E:FES197 0.0 14.1 1.0
NE2 E:HIS161 2.1 32.6 1.0
CE1 E:HIS161 2.1 36.6 1.0
S1 E:FES197 2.2 20.0 1.0
S2 E:FES197 2.2 21.5 1.0
ND1 E:HIS141 2.4 15.8 1.0
FE1 E:FES197 2.7 20.7 1.0
CD2 E:HIS161 3.1 33.6 1.0
ND1 E:HIS161 3.1 37.5 1.0
CE1 E:HIS141 3.3 10.8 1.0
CG E:HIS141 3.3 16.1 1.0
CG E:HIS161 3.5 36.4 1.0
CB E:HIS141 3.6 13.7 1.0
CD1 E:LEU142 4.1 15.3 1.0
N E:LEU142 4.2 13.7 1.0
CG E:LEU142 4.3 17.4 1.0
NE2 E:HIS141 4.4 13.3 1.0
CD2 E:HIS141 4.4 15.8 1.0
CB E:LEU142 4.4 16.5 1.0
O E:PRO159 4.5 25.5 1.0
SG E:CYS158 4.5 17.0 1.0
SG E:CYS144 4.6 24.4 1.0
SG E:CYS139 4.7 7.5 1.0
CA E:HIS141 4.9 12.7 1.0
N E:GLY162 4.9 37.1 1.0
CB E:HIS161 4.9 34.5 1.0
C E:HIS141 4.9 12.5 1.0
CA E:LEU142 5.0 16.4 1.0
CB E:CYS144 5.0 20.6 1.0

Reference:

X.Gao, X.Wen, C.A.Yu, L.Esser, S.Tsao, B.Quinn, L.Zhang, L.Yu, D.Xia. The Crystal Structure of Mitochondrial Cytochrome BC1 in Complex with Famoxadone: the Role of Aromatic-Aromatic Interaction in Inhibition Biochemistry V. 41 11692 2003.
ISSN: ISSN 0006-2960
PubMed: 12269811
DOI: 10.1021/BI026252P
Page generated: Sat Aug 3 09:32:05 2024

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