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Iron in PDB 7tay: Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone

Enzymatic activity of Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone

All present enzymatic activity of Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone:
1.10.2.2;

Protein crystallography data

The structure of Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone, PDB code: 7tay was solved by D.Xia, F.Zhou, L.Esser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.58 / 2.95
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 153.392, 153.392, 590.928, 90, 90, 90
R / Rfree (%) 22.7 / 25.8

Other elements in 7tay:

The structure of Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone (pdb code 7tay). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone, PDB code: 7tay:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in 7tay

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Iron binding site 1 out of 5 in the Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1001

b:89.7
occ:1.00
FE C:HEM1001 0.0 89.7 1.0
NE2 C:HIS83 2.0 85.4 1.0
NE2 C:HIS182 2.0 85.5 1.0
NC C:HEM1001 2.0 91.6 1.0
ND C:HEM1001 2.0 95.7 1.0
NA C:HEM1001 2.1 93.9 1.0
NB C:HEM1001 2.1 92.6 1.0
CE1 C:HIS83 2.8 84.7 1.0
CE1 C:HIS182 2.9 88.1 1.0
HE1 C:HIS83 2.9 101.7 1.0
HE1 C:HIS182 3.0 105.9 1.0
C4C C:HEM1001 3.0 97.4 1.0
CD2 C:HIS182 3.0 88.5 1.0
C1D C:HEM1001 3.1 100.3 1.0
C1C C:HEM1001 3.1 95.3 1.0
C1A C:HEM1001 3.1 102.3 1.0
CD2 C:HIS83 3.1 86.8 1.0
C4D C:HEM1001 3.1 102.3 1.0
C4B C:HEM1001 3.1 96.0 1.0
C4A C:HEM1001 3.1 100.8 1.0
C1B C:HEM1001 3.1 98.0 1.0
HD2 C:HIS182 3.3 106.3 1.0
HD2 C:HIS83 3.4 104.3 1.0
CHD C:HEM1001 3.4 96.5 1.0
CHC C:HEM1001 3.4 93.6 1.0
CHA C:HEM1001 3.5 101.5 1.0
CHB C:HEM1001 3.5 97.9 1.0
ND1 C:HIS83 4.0 85.0 1.0
ND1 C:HIS182 4.0 88.5 1.0
CG C:HIS182 4.1 88.2 1.0
CG C:HIS83 4.1 86.4 1.0
HA3 C:GLY130 4.2 113.8 1.0
C3C C:HEM1001 4.3 92.1 1.0
C2C C:HEM1001 4.3 90.6 1.0
C2D C:HEM1001 4.3 98.9 1.0
C3D C:HEM1001 4.3 100.5 1.0
C2A C:HEM1001 4.3 102.7 1.0
C3A C:HEM1001 4.3 99.6 1.0
C3B C:HEM1001 4.3 93.8 1.0
C2B C:HEM1001 4.3 94.3 1.0
HHD C:HEM1001 4.4 115.9 1.0
HHC C:HEM1001 4.4 112.4 1.0
HHA C:HEM1001 4.4 121.9 1.0
HHB C:HEM1001 4.5 117.6 1.0
HA3 C:GLY48 4.5 110.0 1.0
HA2 C:GLY130 4.5 113.8 1.0
HE21 C:GLN44 4.6 113.6 1.0
HD12 C:LEU133 4.6 117.8 1.0
HA2 C:GLY48 4.7 110.0 1.0
CA C:GLY130 4.8 94.7 1.0

Iron binding site 2 out of 5 in 7tay

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Iron binding site 2 out of 5 in the Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1002

b:74.8
occ:1.00
FE C:HEM1002 0.0 74.8 1.0
NA C:HEM1002 1.9 72.7 1.0
ND C:HEM1002 2.0 78.3 1.0
NB C:HEM1002 2.1 79.0 1.0
NE2 C:HIS196 2.1 85.3 1.0
NE2 C:HIS97 2.1 78.0 1.0
NC C:HEM1002 2.2 78.0 1.0
CD2 C:HIS97 2.9 81.3 1.0
C1A C:HEM1002 2.9 77.0 1.0
CD2 C:HIS196 3.0 72.4 1.0
C4A C:HEM1002 3.0 77.0 1.0
HD2 C:HIS97 3.0 97.7 1.0
C4D C:HEM1002 3.0 80.0 1.0
C1B C:HEM1002 3.1 82.0 1.0
HD2 C:HIS196 3.1 87.0 1.0
C1D C:HEM1002 3.1 84.7 1.0
C4B C:HEM1002 3.1 84.9 1.0
CE1 C:HIS196 3.1 73.5 1.0
C4C C:HEM1002 3.2 83.4 1.0
C1C C:HEM1002 3.2 84.0 1.0
CE1 C:HIS97 3.2 70.5 1.0
CHA C:HEM1002 3.3 74.8 1.0
HE1 C:HIS196 3.4 88.3 1.0
CHB C:HEM1002 3.4 75.1 1.0
HE1 C:HIS97 3.5 84.0 1.0
CHD C:HEM1002 3.5 81.8 1.0
CHC C:HEM1002 3.5 81.0 1.0
CG C:HIS97 4.1 72.5 1.0
CG C:HIS196 4.1 68.6 1.0
C2A C:HEM1002 4.2 72.5 1.0
C3A C:HEM1002 4.2 72.5 1.0
ND1 C:HIS196 4.2 72.9 1.0
ND1 C:HIS97 4.2 81.4 1.0
C3D C:HEM1002 4.2 78.0 1.0
C2D C:HEM1002 4.3 80.7 1.0
HHA C:HEM1002 4.3 89.9 1.0
C2B C:HEM1002 4.3 81.1 1.0
C3B C:HEM1002 4.3 83.6 1.0
HHB C:HEM1002 4.4 90.2 1.0
C2C C:HEM1002 4.4 80.3 1.0
C3C C:HEM1002 4.4 79.6 1.0
HH22 C:ARG100 4.4 92.8 1.0
HD12 C:LEU37 4.4 88.7 1.0
HHD C:HEM1002 4.5 98.3 1.0
HHC C:HEM1002 4.5 97.3 1.0
HA2 C:GLY34 4.8 95.3 1.0
HH21 C:ARG100 4.9 92.8 1.0
HD13 C:LEU37 4.9 88.7 1.0
HG22 C:THR112 4.9 80.9 1.0
NH2 C:ARG100 5.0 77.2 1.0

Iron binding site 3 out of 5 in 7tay

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Iron binding site 3 out of 5 in the Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe1001

b:138.3
occ:1.00
FE D:HEC1001 0.0 138.3 1.0
NA D:HEC1001 2.0 140.9 1.0
NE2 D:HIS41 2.0 136.7 1.0
NC D:HEC1001 2.1 147.9 1.0
NB D:HEC1001 2.1 144.7 1.0
ND D:HEC1001 2.1 144.0 1.0
SD D:MET160 2.2 152.9 1.0
CE1 D:HIS41 3.0 137.3 1.0
C1A D:HEC1001 3.0 143.1 1.0
C4A D:HEC1001 3.1 142.6 1.0
CD2 D:HIS41 3.1 139.0 1.0
C1C D:HEC1001 3.1 152.8 1.0
C4C D:HEC1001 3.1 151.9 1.0
C4B D:HEC1001 3.1 148.8 1.0
C4D D:HEC1001 3.1 144.6 1.0
C1B D:HEC1001 3.1 144.6 1.0
C1D D:HEC1001 3.1 147.6 1.0
HE1 D:HIS41 3.2 164.9 1.0
HD2 D:HIS41 3.3 167.0 1.0
CE D:MET160 3.4 150.1 1.0
CHA D:HEC1001 3.4 140.6 1.0
CHC D:HEC1001 3.4 149.2 1.0
CHB D:HEC1001 3.5 139.8 1.0
CHD D:HEC1001 3.5 147.6 1.0
HG3 D:MET160 3.5 185.1 1.0
HE1 D:MET160 3.5 180.2 1.0
HE2 D:MET160 3.5 180.2 1.0
CG D:MET160 3.5 154.1 1.0
HB2 D:MET160 4.0 183.2 1.0
ND1 D:HIS41 4.1 136.5 1.0
CG D:HIS41 4.2 137.3 1.0
HB3 D:PRO110 4.2 167.2 1.0
HE3 D:MET160 4.2 180.2 1.0
HG2 D:MET160 4.2 185.1 1.0
C2A D:HEC1001 4.3 137.6 1.0
C3A D:HEC1001 4.3 137.1 1.0
C2C D:HEC1001 4.3 150.4 1.0
C3C D:HEC1001 4.3 150.3 1.0
CB D:MET160 4.3 152.6 1.0
C2B D:HEC1001 4.3 142.4 1.0
C3B D:HEC1001 4.3 144.8 1.0
C3D D:HEC1001 4.3 142.3 1.0
C2D D:HEC1001 4.3 143.9 1.0
HHA D:HEC1001 4.4 168.9 1.0
HHC D:HEC1001 4.4 179.2 1.0
HHB D:HEC1001 4.4 167.9 1.0
HHD D:HEC1001 4.4 177.3 1.0
HG3 D:PRO163 4.5 170.0 1.0
HB3 D:MET160 4.6 183.2 1.0
HD21 D:LEU113 4.9 153.8 1.0
HB2 D:CYS40 4.9 187.4 1.0
HD2 D:PRO111 5.0 156.1 1.0

Iron binding site 4 out of 5 in 7tay

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Iron binding site 4 out of 5 in the Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe1001

b:126.3
occ:1.00
FE1 E:FES1001 0.0 126.3 1.0
S1 E:FES1001 2.2 126.6 1.0
S2 E:FES1001 2.2 132.6 1.0
SG E:CYS158 2.3 135.8 1.0
SG E:CYS139 2.3 117.1 1.0
FE2 E:FES1001 2.7 118.7 1.0
HB3 E:CYS139 3.0 172.7 1.0
CB E:CYS139 3.1 143.8 1.0
HB3 E:HIS141 3.1 158.2 1.0
HB2 E:CYS144 3.1 148.1 1.0
HB2 E:CYS139 3.2 172.7 1.0
HB3 E:CYS158 3.3 166.5 1.0
CB E:CYS158 3.3 138.7 1.0
HB2 E:CYS160 3.4 154.4 1.0
HB2 E:CYS158 3.5 166.5 1.0
HB2 E:SER163 3.6 166.9 1.0
H E:LEU142 3.8 134.1 1.0
HG E:SER163 3.9 164.7 1.0
H E:CYS144 4.0 145.7 1.0
H E:HIS161 4.0 156.9 1.0
CB E:HIS141 4.0 131.7 1.0
OG E:SER163 4.1 137.2 1.0
CB E:CYS144 4.1 123.3 1.0
HB2 E:HIS141 4.1 158.2 1.0
H E:HIS141 4.2 153.6 1.0
CB E:SER163 4.3 139.0 1.0
CB E:CYS160 4.4 128.5 1.0
ND1 E:HIS161 4.4 123.5 1.0
HB3 E:CYS144 4.5 148.1 1.0
H E:SER163 4.5 167.7 1.0
HH E:TYR165 4.5 150.6 1.0
ND1 E:HIS141 4.5 117.9 1.0
HB2 E:HIS161 4.5 153.0 1.0
H E:CYS160 4.5 165.6 1.0
CA E:CYS139 4.6 152.9 1.0
N E:LEU142 4.6 112.3 1.0
N E:HIS161 4.7 130.7 1.0
N E:CYS144 4.7 121.3 1.0
HB2 E:ALA176 4.7 141.1 1.0
HB3 E:CYS160 4.7 154.4 1.0
CA E:CYS158 4.7 141.6 1.0
CG E:HIS141 4.7 112.9 1.0
N E:HIS141 4.9 127.8 1.0
HB3 E:SER163 4.9 166.9 1.0
HA E:CYS139 4.9 183.6 1.0
SG E:CYS144 4.9 123.1 1.0
H E:GLY162 4.9 160.1 1.0
H E:GLY143 4.9 135.5 1.0
CA E:CYS144 4.9 122.3 1.0
CA E:HIS141 5.0 128.6 1.0
HB2 E:LEU142 5.0 140.9 1.0

Iron binding site 5 out of 5 in 7tay

Go back to Iron Binding Sites List in 7tay
Iron binding site 5 out of 5 in the Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Bos Taurus Mitochondrial BC1 in Complex with Pyramoxadone within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe1001

b:118.7
occ:1.00
FE2 E:FES1001 0.0 118.7 1.0
ND1 E:HIS161 2.1 123.5 1.0
ND1 E:HIS141 2.1 117.9 1.0
S2 E:FES1001 2.2 132.6 1.0
S1 E:FES1001 2.2 126.6 1.0
HB3 E:HIS141 2.5 158.2 1.0
HB2 E:HIS161 2.6 153.0 1.0
FE1 E:FES1001 2.7 126.3 1.0
CG E:HIS141 3.0 112.9 1.0
CG E:HIS161 3.0 122.5 1.0
CE1 E:HIS161 3.1 120.6 1.0
CB E:HIS141 3.2 131.7 1.0
CE1 E:HIS141 3.2 116.3 1.0
CB E:HIS161 3.3 127.4 1.0
HE1 E:HIS161 3.4 144.8 1.0
HE1 E:HIS141 3.4 139.7 1.0
HB2 E:HIS141 3.6 158.2 1.0
HG2 E:PRO175 3.7 147.7 1.0
HB2 E:LEU142 3.7 140.9 1.0
H E:LEU142 3.7 134.1 1.0
H E:HIS161 3.7 156.9 1.0
HB2 E:CYS160 3.8 154.4 1.0
HB3 E:HIS161 4.0 153.0 1.0
N E:HIS161 4.0 130.7 1.0
HG E:SER163 4.0 164.7 1.0
CD2 E:HIS141 4.2 112.0 1.0
N E:LEU142 4.2 112.3 1.0
CD2 E:HIS161 4.2 122.6 1.0
CA E:HIS161 4.2 130.0 1.0
NE2 E:HIS161 4.2 121.4 1.0
NE2 E:HIS141 4.2 115.2 1.0
HB3 E:CYS160 4.3 154.4 1.0
HG E:LEU142 4.3 131.7 1.0
SG E:CYS139 4.4 117.1 1.0
HD12 E:LEU142 4.4 131.9 1.0
HG3 E:PRO175 4.4 147.7 1.0
CA E:HIS141 4.5 128.6 1.0
CB E:CYS160 4.5 128.5 1.0
CG E:PRO175 4.5 123.0 1.0
CB E:LEU142 4.5 117.3 1.0
OG E:SER163 4.5 137.2 1.0
SG E:CYS158 4.6 135.8 1.0
C E:HIS141 4.6 111.9 1.0
HD11 E:LEU142 4.8 131.9 1.0
CG E:LEU142 4.8 110.3 1.0
C E:CYS160 4.8 131.8 1.0
HB2 E:CYS144 4.8 148.1 1.0
C E:HIS161 4.8 130.8 1.0
H E:HIS141 4.9 153.6 1.0
CD1 E:LEU142 4.9 110.4 1.0
CA E:LEU142 4.9 117.2 1.0
HD2 E:HIS141 5.0 133.8 1.0

Reference:

D.Xia, L.Esser, F.Zhou. Conformation Switch of Rieske Isp Subunit Is Revealed By the Crystal Structure of Bacterial Cytochrome BC1 in Complex with Azoxystrobin To Be Published.
Page generated: Fri Aug 9 01:11:30 2024

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