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Iron in PDB 3h1j: Stigmatellin-Bound Cytochrome BC1 Complex From Chicken

Enzymatic activity of Stigmatellin-Bound Cytochrome BC1 Complex From Chicken

All present enzymatic activity of Stigmatellin-Bound Cytochrome BC1 Complex From Chicken:
1.10.2.2;

Protein crystallography data

The structure of Stigmatellin-Bound Cytochrome BC1 Complex From Chicken, PDB code: 3h1j was solved by Z.Zhang, L.Huang, V.M.Shulmeister, Y.-I.Chi, K.K.Kim, L.-W.Hung, A.R.Crofts, E.A.Berry, S.-H.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.68 / 3.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 173.464, 182.448, 241.328, 90.00, 90.00, 90.00
R / Rfree (%) 24.3 / 27.7

Iron Binding Sites:

The binding sites of Iron atom in the Stigmatellin-Bound Cytochrome BC1 Complex From Chicken (pdb code 3h1j). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 10 binding sites of Iron where determined in the Stigmatellin-Bound Cytochrome BC1 Complex From Chicken, PDB code: 3h1j:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 10 in 3h1j

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Iron binding site 1 out of 10 in the Stigmatellin-Bound Cytochrome BC1 Complex From Chicken


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Stigmatellin-Bound Cytochrome BC1 Complex From Chicken within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe501

b:45.5
occ:1.00
FE C:HEM501 0.0 45.5 1.0
ND C:HEM501 1.9 46.8 1.0
NC C:HEM501 1.9 48.2 1.0
NA C:HEM501 1.9 45.8 1.0
NB C:HEM501 2.0 47.8 1.0
NE2 C:HIS183 2.0 44.8 1.0
NE2 C:HIS84 2.0 45.6 1.0
CE1 C:HIS183 2.9 44.5 1.0
CE1 C:HIS84 3.0 46.3 1.0
C4C C:HEM501 3.0 47.7 1.0
C1D C:HEM501 3.0 46.2 1.0
C1C C:HEM501 3.0 49.5 1.0
C4D C:HEM501 3.0 47.4 1.0
C1A C:HEM501 3.0 45.0 1.0
C4A C:HEM501 3.0 47.2 1.0
CD2 C:HIS84 3.0 46.7 1.0
C4B C:HEM501 3.0 48.4 1.0
CD2 C:HIS183 3.1 44.9 1.0
C1B C:HEM501 3.1 49.1 1.0
CHD C:HEM501 3.3 46.1 1.0
CHC C:HEM501 3.3 50.2 1.0
CHA C:HEM501 3.4 44.7 1.0
CHB C:HEM501 3.4 48.4 1.0
ND1 C:HIS183 4.1 45.0 1.0
ND1 C:HIS84 4.1 46.5 1.0
CG C:HIS84 4.1 47.2 1.0
CG C:HIS183 4.2 45.4 1.0
C2C C:HEM501 4.2 49.4 1.0
C2A C:HEM501 4.2 46.4 1.0
C3C C:HEM501 4.2 48.7 1.0
C2D C:HEM501 4.2 47.4 1.0
C3A C:HEM501 4.2 47.8 1.0
C3D C:HEM501 4.2 48.5 1.0
C3B C:HEM501 4.3 49.0 1.0
C2B C:HEM501 4.3 48.7 1.0
CA C:GLY131 4.9 45.1 1.0

Iron binding site 2 out of 10 in 3h1j

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Iron binding site 2 out of 10 in the Stigmatellin-Bound Cytochrome BC1 Complex From Chicken


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Stigmatellin-Bound Cytochrome BC1 Complex From Chicken within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe502

b:39.6
occ:1.00
FE C:HEM502 0.0 39.6 1.0
NA C:HEM502 1.9 41.0 1.0
NB C:HEM502 1.9 39.4 1.0
NC C:HEM502 2.0 40.4 1.0
ND C:HEM502 2.0 41.7 1.0
NE2 C:HIS197 2.0 40.8 1.0
NE2 C:HIS98 2.0 43.2 1.0
CD2 C:HIS197 2.9 40.6 1.0
C4A C:HEM502 3.0 42.5 1.0
CE1 C:HIS98 3.0 44.3 1.0
C1A C:HEM502 3.0 41.1 1.0
C1B C:HEM502 3.0 39.3 1.0
C4B C:HEM502 3.0 41.3 1.0
C1C C:HEM502 3.0 40.6 1.0
CD2 C:HIS98 3.0 42.4 1.0
C4C C:HEM502 3.0 39.2 1.0
CE1 C:HIS197 3.1 39.1 1.0
C1D C:HEM502 3.1 40.1 1.0
C4D C:HEM502 3.1 42.8 1.0
CHB C:HEM502 3.4 40.8 1.0
CHA C:HEM502 3.4 42.0 1.0
CHC C:HEM502 3.4 40.6 1.0
CHD C:HEM502 3.4 39.3 1.0
CG C:HIS197 4.1 41.2 1.0
ND1 C:HIS98 4.1 45.6 1.0
ND1 C:HIS197 4.1 39.2 1.0
CG C:HIS98 4.2 43.1 1.0
C2A C:HEM502 4.2 41.4 1.0
C3A C:HEM502 4.2 42.0 1.0
C2C C:HEM502 4.2 40.7 1.0
C3C C:HEM502 4.3 39.9 1.0
C2B C:HEM502 4.3 38.6 1.0
C3B C:HEM502 4.3 41.0 1.0
C2D C:HEM502 4.3 39.5 1.0
C3D C:HEM502 4.4 41.6 1.0

Iron binding site 3 out of 10 in 3h1j

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Iron binding site 3 out of 10 in the Stigmatellin-Bound Cytochrome BC1 Complex From Chicken


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Stigmatellin-Bound Cytochrome BC1 Complex From Chicken within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe501

b:49.7
occ:1.00
FE D:HEC501 0.0 49.7 1.0
NC D:HEC501 1.9 46.5 1.0
NA D:HEC501 2.0 47.3 1.0
ND D:HEC501 2.0 46.1 1.0
NB D:HEC501 2.0 46.7 1.0
NE2 D:HIS41 2.0 51.3 1.0
SD D:MET160 2.1 45.2 1.0
CD2 D:HIS41 3.0 52.0 1.0
C4C D:HEC501 3.0 46.0 1.0
C1C D:HEC501 3.0 47.6 1.0
C1D D:HEC501 3.0 45.9 1.0
C1B D:HEC501 3.0 46.9 1.0
C4A D:HEC501 3.0 46.9 1.0
C1A D:HEC501 3.0 47.6 1.0
C4D D:HEC501 3.0 45.8 1.0
CE1 D:HIS41 3.0 52.3 1.0
C4B D:HEC501 3.1 46.2 1.0
CE D:MET160 3.3 45.6 1.0
CHD D:HEC501 3.3 44.4 1.0
CHB D:HEC501 3.4 45.7 1.0
CHC D:HEC501 3.4 46.8 1.0
CHA D:HEC501 3.4 46.2 1.0
CG D:MET160 3.5 46.3 1.0
CG D:HIS41 4.1 52.0 1.0
ND1 D:HIS41 4.1 52.7 1.0
CB D:MET160 4.2 45.2 1.0
C3C D:HEC501 4.2 48.0 1.0
C2C D:HEC501 4.2 47.5 1.0
C2D D:HEC501 4.3 46.2 1.0
C2B D:HEC501 4.3 46.2 1.0
C2A D:HEC501 4.3 47.8 1.0
C3A D:HEC501 4.3 47.3 1.0
C3D D:HEC501 4.3 45.9 1.0
C3B D:HEC501 4.3 45.1 1.0

Iron binding site 4 out of 10 in 3h1j

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Iron binding site 4 out of 10 in the Stigmatellin-Bound Cytochrome BC1 Complex From Chicken


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Stigmatellin-Bound Cytochrome BC1 Complex From Chicken within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe501

b:92.0
occ:1.00
FE1 E:FES501 0.0 92.0 1.0
S2 E:FES501 2.2 95.3 1.0
S1 E:FES501 2.2 95.3 1.0
SG E:CYS158 2.3 94.0 1.0
SG E:CYS139 2.3 91.8 1.0
FE2 E:FES501 2.7 93.8 1.0
CB E:CYS158 3.0 97.3 1.0
CB E:CYS139 3.0 92.1 1.0
CB E:HIS141 3.8 92.2 1.0
CB E:CYS160 4.2 97.1 1.0
ND1 E:HIS141 4.3 92.7 1.0
OG E:SER163 4.3 0.3 1.0
CB E:CYS144 4.4 91.8 1.0
CA E:CYS158 4.4 98.7 1.0
CA E:CYS139 4.5 92.9 1.0
ND1 E:HIS161 4.5 95.9 1.0
CG E:HIS141 4.5 93.3 1.0
CB E:SER163 4.5 0.6 1.0
N E:HIS161 4.6 0.2 1.0
N E:CYS144 4.6 89.6 1.0
N E:LEU142 4.7 92.1 1.0
C E:CYS158 4.8 98.2 1.0
N E:CYS160 4.8 99.5 1.0
O E:CYS158 4.8 97.7 1.0
SG E:CYS144 4.9 92.8 1.0
CA E:CYS160 4.9 98.7 1.0
CA E:HIS141 4.9 92.6 1.0
N E:HIS141 5.0 91.9 1.0

Iron binding site 5 out of 10 in 3h1j

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Iron binding site 5 out of 10 in the Stigmatellin-Bound Cytochrome BC1 Complex From Chicken


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Stigmatellin-Bound Cytochrome BC1 Complex From Chicken within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe501

b:93.8
occ:1.00
FE2 E:FES501 0.0 93.8 1.0
ND1 E:HIS141 2.1 92.7 1.0
ND1 E:HIS161 2.1 95.9 1.0
S1 E:FES501 2.2 95.3 1.0
S2 E:FES501 2.2 95.3 1.0
FE1 E:FES501 2.7 92.0 1.0
CG E:HIS141 3.0 93.3 1.0
CG E:HIS161 3.0 97.2 1.0
CE1 E:HIS141 3.1 92.7 1.0
CE1 E:HIS161 3.1 96.3 1.0
CB E:HIS141 3.3 92.2 1.0
CB E:HIS161 3.3 99.6 1.0
N E:HIS161 3.7 0.2 1.0
CB E:CYS160 3.9 97.1 1.0
CA E:HIS161 4.0 0.1 1.0
N E:LEU142 4.2 92.1 1.0
CD2 E:HIS141 4.2 94.2 1.0
NE2 E:HIS141 4.2 93.7 1.0
CD2 E:HIS161 4.2 97.3 1.0
NE2 E:HIS161 4.2 96.6 1.0
SG E:CYS139 4.2 91.8 1.0
C E:CYS160 4.3 99.0 1.0
CB E:LEU142 4.5 89.4 1.0
SG E:CYS158 4.5 94.0 1.0
CA E:CYS160 4.6 98.7 1.0
CA E:HIS141 4.7 92.6 1.0
CG E:PRO175 4.7 0.4 1.0
OG E:SER163 4.8 0.3 1.0
C E:HIS161 4.8 0.2 1.0
CG E:LEU142 4.8 88.2 1.0
C E:HIS141 4.9 93.0 1.0
CA E:LEU142 4.9 90.8 1.0
CD1 E:LEU142 4.9 87.5 1.0
O E:CYS160 5.0 98.0 1.0

Iron binding site 6 out of 10 in 3h1j

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Iron binding site 6 out of 10 in the Stigmatellin-Bound Cytochrome BC1 Complex From Chicken


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Stigmatellin-Bound Cytochrome BC1 Complex From Chicken within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Fe501

b:56.5
occ:1.00
FE P:HEM501 0.0 56.5 1.0
NA P:HEM501 1.9 61.4 1.0
NC P:HEM501 1.9 61.2 1.0
NB P:HEM501 1.9 59.3 1.0
ND P:HEM501 2.0 60.7 1.0
NE2 P:HIS183 2.0 55.6 1.0
NE2 P:HIS84 2.0 59.1 1.0
CE1 P:HIS183 2.9 55.8 1.0
CE1 P:HIS84 2.9 59.2 1.0
C4A P:HEM501 3.0 63.1 1.0
C1B P:HEM501 3.0 61.4 1.0
C1A P:HEM501 3.0 63.3 1.0
C1C P:HEM501 3.0 62.1 1.0
C4B P:HEM501 3.0 60.2 1.0
C1D P:HEM501 3.0 61.8 1.0
C4D P:HEM501 3.0 62.0 1.0
C4C P:HEM501 3.0 61.1 1.0
CD2 P:HIS84 3.0 58.8 1.0
CD2 P:HIS183 3.1 54.9 1.0
CHB P:HEM501 3.3 63.4 1.0
CHC P:HEM501 3.4 62.0 1.0
CHD P:HEM501 3.4 61.5 1.0
CHA P:HEM501 3.4 63.4 1.0
ND1 P:HIS183 4.0 55.5 1.0
ND1 P:HIS84 4.1 58.8 1.0
CG P:HIS84 4.2 59.4 1.0
CG P:HIS183 4.2 54.5 1.0
C2A P:HEM501 4.2 64.3 1.0
C3A P:HEM501 4.2 63.2 1.0
C2C P:HEM501 4.2 61.2 1.0
C3B P:HEM501 4.2 60.6 1.0
C3D P:HEM501 4.3 63.2 1.0
C2B P:HEM501 4.3 61.8 1.0
C2D P:HEM501 4.3 63.0 1.0
C3C P:HEM501 4.3 61.1 1.0
CA P:GLY131 4.9 57.8 1.0
NE2 P:GLN45 4.9 55.3 1.0

Iron binding site 7 out of 10 in 3h1j

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Iron binding site 7 out of 10 in the Stigmatellin-Bound Cytochrome BC1 Complex From Chicken


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Stigmatellin-Bound Cytochrome BC1 Complex From Chicken within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Fe502

b:64.7
occ:1.00
FE P:HEM502 0.0 64.7 1.0
NC P:HEM502 1.9 64.9 1.0
NB P:HEM502 2.0 64.3 1.0
NA P:HEM502 2.0 62.1 1.0
ND P:HEM502 2.0 65.2 1.0
NE2 P:HIS98 2.0 64.5 1.0
NE2 P:HIS197 2.0 63.1 1.0
CD2 P:HIS197 2.9 62.9 1.0
C4C P:HEM502 3.0 66.4 1.0
C1C P:HEM502 3.0 65.5 1.0
CE1 P:HIS98 3.0 64.9 1.0
CD2 P:HIS98 3.0 64.9 1.0
C1D P:HEM502 3.0 66.0 1.0
C4A P:HEM502 3.0 61.4 1.0
C1A P:HEM502 3.0 62.2 1.0
C4B P:HEM502 3.0 63.7 1.0
CE1 P:HIS197 3.0 61.5 1.0
C1B P:HEM502 3.0 63.0 1.0
C4D P:HEM502 3.1 65.3 1.0
CHD P:HEM502 3.3 66.5 1.0
CHC P:HEM502 3.4 64.6 1.0
CHB P:HEM502 3.4 61.6 1.0
CHA P:HEM502 3.4 63.6 1.0
ND1 P:HIS98 4.1 66.5 1.0
CG P:HIS197 4.1 63.2 1.0
ND1 P:HIS197 4.1 62.0 1.0
CG P:HIS98 4.1 67.0 1.0
C2C P:HEM502 4.2 66.3 1.0
C3C P:HEM502 4.2 66.5 1.0
C2A P:HEM502 4.2 62.1 1.0
C3A P:HEM502 4.2 61.6 1.0
C2D P:HEM502 4.3 65.8 1.0
C3B P:HEM502 4.3 62.9 1.0
C2B P:HEM502 4.3 62.2 1.0
C3D P:HEM502 4.3 66.3 1.0
O P:HOH383 4.9 53.3 1.0

Iron binding site 8 out of 10 in 3h1j

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Iron binding site 8 out of 10 in the Stigmatellin-Bound Cytochrome BC1 Complex From Chicken


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Stigmatellin-Bound Cytochrome BC1 Complex From Chicken within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Fe501

b:73.9
occ:1.00
FE Q:HEC501 0.0 73.9 1.0
NC Q:HEC501 1.9 73.0 1.0
NB Q:HEC501 2.0 71.5 1.0
NE2 Q:HIS41 2.0 76.9 1.0
ND Q:HEC501 2.0 72.2 1.0
NA Q:HEC501 2.0 73.0 1.0
SD Q:MET160 2.1 79.2 1.0
C1C Q:HEC501 2.9 73.5 1.0
CD2 Q:HIS41 2.9 79.2 1.0
C4C Q:HEC501 2.9 73.2 1.0
C4B Q:HEC501 3.0 71.5 1.0
C1B Q:HEC501 3.0 69.6 1.0
C1D Q:HEC501 3.0 71.5 1.0
CE1 Q:HIS41 3.1 78.4 1.0
C4A Q:HEC501 3.1 70.5 1.0
C4D Q:HEC501 3.1 70.0 1.0
C1A Q:HEC501 3.1 71.5 1.0
CHC Q:HEC501 3.3 73.5 1.0
CHD Q:HEC501 3.3 71.9 1.0
CE Q:MET160 3.4 77.9 1.0
CHB Q:HEC501 3.4 68.6 1.0
CHA Q:HEC501 3.5 70.5 1.0
CG Q:MET160 3.5 82.4 1.0
CG Q:HIS41 4.1 79.7 1.0
ND1 Q:HIS41 4.1 79.8 1.0
C3C Q:HEC501 4.1 74.7 1.0
C2C Q:HEC501 4.1 74.4 1.0
CB Q:MET160 4.2 86.6 1.0
C2B Q:HEC501 4.2 69.6 1.0
C3B Q:HEC501 4.2 70.5 1.0
C2D Q:HEC501 4.3 71.2 1.0
C3A Q:HEC501 4.3 70.3 1.0
C3D Q:HEC501 4.3 70.2 1.0
C2A Q:HEC501 4.3 70.8 1.0

Iron binding site 9 out of 10 in 3h1j

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Iron binding site 9 out of 10 in the Stigmatellin-Bound Cytochrome BC1 Complex From Chicken


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Stigmatellin-Bound Cytochrome BC1 Complex From Chicken within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Fe501

b:56.8
occ:1.00
FE1 R:FES501 0.0 56.8 1.0
S1 R:FES501 2.2 57.7 1.0
S2 R:FES501 2.2 54.5 1.0
SG R:CYS158 2.2 55.2 1.0
SG R:CYS139 2.3 59.0 1.0
FE2 R:FES501 2.7 52.2 1.0
CB R:CYS158 3.0 56.6 1.0
CB R:CYS139 3.0 61.3 1.0
CB R:HIS141 3.8 57.5 1.0
OG R:SER163 4.2 62.4 1.0
CB R:CYS160 4.2 52.6 1.0
ND1 R:HIS141 4.3 54.8 1.0
CB R:CYS144 4.4 52.7 1.0
CA R:CYS158 4.4 56.7 1.0
CB R:SER163 4.5 62.8 1.0
CG R:HIS141 4.5 56.1 1.0
CA R:CYS139 4.5 61.7 1.0
ND1 R:HIS161 4.5 54.8 1.0
N R:HIS161 4.6 54.9 1.0
N R:LEU142 4.7 57.7 1.0
N R:CYS144 4.7 54.4 1.0
C R:CYS158 4.8 55.0 1.0
N R:CYS160 4.9 55.7 1.0
O R:CYS158 4.9 55.4 1.0
CA R:HIS141 5.0 58.5 1.0
N R:HIS141 5.0 60.7 1.0
CA R:CYS160 5.0 54.1 1.0
O R:CYS144 5.0 55.6 1.0

Iron binding site 10 out of 10 in 3h1j

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Iron binding site 10 out of 10 in the Stigmatellin-Bound Cytochrome BC1 Complex From Chicken


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Stigmatellin-Bound Cytochrome BC1 Complex From Chicken within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Fe501

b:52.2
occ:1.00
FE2 R:FES501 0.0 52.2 1.0
ND1 R:HIS141 2.1 54.8 1.0
ND1 R:HIS161 2.1 54.8 1.0
S2 R:FES501 2.2 54.5 1.0
S1 R:FES501 2.2 57.7 1.0
FE1 R:FES501 2.7 56.8 1.0
CG R:HIS141 3.0 56.1 1.0
CG R:HIS161 3.0 53.3 1.0
CE1 R:HIS141 3.1 53.9 1.0
CE1 R:HIS161 3.2 54.6 1.0
CB R:HIS161 3.3 53.7 1.0
CB R:HIS141 3.3 57.5 1.0
N R:HIS161 3.7 54.9 1.0
CB R:CYS160 4.0 52.6 1.0
CA R:HIS161 4.1 55.0 1.0
N R:LEU142 4.1 57.7 1.0
CD2 R:HIS141 4.2 55.8 1.0
NE2 R:HIS141 4.2 56.0 1.0
CD2 R:HIS161 4.2 52.5 1.0
NE2 R:HIS161 4.2 52.7 1.0
C R:CYS160 4.3 54.8 1.0
SG R:CYS139 4.3 59.0 1.0
SG R:CYS158 4.5 55.2 1.0
CB R:LEU142 4.5 55.3 1.0
CG R:PRO175 4.6 66.1 1.0
CA R:HIS141 4.7 58.5 1.0
CA R:CYS160 4.7 54.1 1.0
OG R:SER163 4.8 62.4 1.0
C R:HIS141 4.8 58.6 1.0
C R:HIS161 4.8 57.4 1.0
CD1 R:LEU142 4.9 53.7 1.0
CA R:LEU142 4.9 56.9 1.0
CG R:LEU142 4.9 54.4 1.0

Reference:

Z.Zhang, L.-S.Huang, V.M.Shulmeister, Y.I.Chi, K.K.Kim, L.W.Hung, A.R.Crofts, E.A.Berry, S.-H.Kim. Electron Transfer By Domain Movement in Cytochrome BC1 Nature V. 392 677 1998.
ISSN: ISSN 0028-0836
PubMed: 9565029
Page generated: Sun Aug 4 11:02:32 2024

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