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Iron in PDB 1sqx: Crystal Structure Analysis of Bovine BC1 with Stigmatellin A

Enzymatic activity of Crystal Structure Analysis of Bovine BC1 with Stigmatellin A

All present enzymatic activity of Crystal Structure Analysis of Bovine BC1 with Stigmatellin A:
1.10.2.2;

Protein crystallography data

The structure of Crystal Structure Analysis of Bovine BC1 with Stigmatellin A, PDB code: 1sqx was solved by L.Esser, B.Quinn, Y.F.Li, M.Zhang, M.Elberry, L.Yu, C.A.Yu, D.Xia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 2.60
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 154.385, 154.385, 590.271, 90.00, 90.00, 90.00
R / Rfree (%) 23.3 / 28.1

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure Analysis of Bovine BC1 with Stigmatellin A (pdb code 1sqx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the Crystal Structure Analysis of Bovine BC1 with Stigmatellin A, PDB code: 1sqx:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in 1sqx

Go back to Iron Binding Sites List in 1sqx
Iron binding site 1 out of 5 in the Crystal Structure Analysis of Bovine BC1 with Stigmatellin A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Analysis of Bovine BC1 with Stigmatellin A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe381

b:26.3
occ:1.00
FE C:HEM381 0.0 26.3 1.0
ND C:HEM381 2.0 27.3 1.0
NC C:HEM381 2.0 30.9 1.0
NB C:HEM381 2.0 30.2 1.0
NA C:HEM381 2.0 28.8 1.0
NE2 C:HIS196 2.1 19.8 1.0
NE2 C:HIS97 2.3 29.3 1.0
C4A C:HEM381 3.0 28.3 1.0
C1A C:HEM381 3.0 24.6 1.0
C4C C:HEM381 3.0 28.8 1.0
C1D C:HEM381 3.0 27.3 1.0
C1B C:HEM381 3.0 28.0 1.0
C4D C:HEM381 3.0 24.8 1.0
C1C C:HEM381 3.0 28.3 1.0
C4B C:HEM381 3.1 24.4 1.0
CD2 C:HIS196 3.1 21.3 1.0
CD2 C:HIS97 3.1 30.9 1.0
CE1 C:HIS196 3.1 22.6 1.0
CE1 C:HIS97 3.4 31.3 1.0
CHB C:HEM381 3.4 28.3 1.0
CHA C:HEM381 3.5 23.8 1.0
CHD C:HEM381 3.5 27.6 1.0
CHC C:HEM381 3.5 25.1 1.0
C3A C:HEM381 4.2 26.2 1.0
ND1 C:HIS196 4.2 24.0 1.0
CG C:HIS196 4.2 23.1 1.0
C2A C:HEM381 4.2 23.1 1.0
C3D C:HEM381 4.3 23.6 1.0
C2D C:HEM381 4.3 26.5 1.0
C2C C:HEM381 4.3 25.1 1.0
C3C C:HEM381 4.3 26.0 1.0
C2B C:HEM381 4.3 27.3 1.0
C3B C:HEM381 4.3 24.7 1.0
CG C:HIS97 4.4 33.6 1.0
ND1 C:HIS97 4.4 33.5 1.0
O C:HOH672 4.9 67.4 1.0

Iron binding site 2 out of 5 in 1sqx

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Iron binding site 2 out of 5 in the Crystal Structure Analysis of Bovine BC1 with Stigmatellin A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure Analysis of Bovine BC1 with Stigmatellin A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe382

b:24.0
occ:1.00
FE C:HEM382 0.0 24.0 1.0
NC C:HEM382 2.0 33.3 1.0
ND C:HEM382 2.0 29.7 1.0
NB C:HEM382 2.0 33.2 1.0
NA C:HEM382 2.0 32.5 1.0
NE2 C:HIS182 2.2 13.0 1.0
NE2 C:HIS83 2.2 21.2 1.0
C1A C:HEM382 3.0 30.9 1.0
C4A C:HEM382 3.0 32.6 1.0
CE1 C:HIS83 3.0 24.7 1.0
C1C C:HEM382 3.0 34.3 1.0
C4D C:HEM382 3.0 29.9 1.0
C4C C:HEM382 3.0 34.3 1.0
C4B C:HEM382 3.1 32.7 1.0
C1D C:HEM382 3.1 31.4 1.0
C1B C:HEM382 3.1 33.3 1.0
CE1 C:HIS182 3.1 16.7 1.0
CD2 C:HIS182 3.3 17.6 1.0
CD2 C:HIS83 3.3 18.5 1.0
CHA C:HEM382 3.4 31.0 1.0
CHC C:HEM382 3.5 33.0 1.0
CHB C:HEM382 3.5 31.8 1.0
CHD C:HEM382 3.5 35.5 1.0
ND1 C:HIS83 4.2 24.4 1.0
C2A C:HEM382 4.2 31.5 1.0
C3A C:HEM382 4.3 32.8 1.0
C3D C:HEM382 4.3 27.2 1.0
ND1 C:HIS182 4.3 21.9 1.0
C2D C:HEM382 4.3 27.0 1.0
C2C C:HEM382 4.3 37.8 1.0
C2B C:HEM382 4.3 32.7 1.0
C3C C:HEM382 4.3 35.5 1.0
C3B C:HEM382 4.3 32.0 1.0
CG C:HIS182 4.4 22.2 1.0
CG C:HIS83 4.4 22.2 1.0
CA C:GLY130 4.7 29.7 1.0
CA C:GLY48 5.0 30.1 1.0

Iron binding site 3 out of 5 in 1sqx

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Iron binding site 3 out of 5 in the Crystal Structure Analysis of Bovine BC1 with Stigmatellin A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure Analysis of Bovine BC1 with Stigmatellin A within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe200

b:93.0
occ:1.00
FE1 E:FES200 0.0 93.0 1.0
SG E:CYS158 2.1 27.1 1.0
S1 E:FES200 2.2 93.2 1.0
S2 E:FES200 2.2 88.6 1.0
SG E:CYS139 2.4 20.0 1.0
FE2 E:FES200 2.7 86.6 1.0
CB E:CYS158 3.3 30.1 1.0
CB E:CYS139 3.3 27.7 1.0
CB E:HIS141 4.0 24.7 1.0
CB E:CYS160 4.0 30.3 1.0
OG E:SER163 4.1 28.8 1.0
CB E:SER163 4.2 29.3 1.0
ND1 E:HIS141 4.4 22.2 1.0
CB E:CYS144 4.5 23.6 1.0
ND1 E:HIS161 4.5 31.9 1.0
N E:HIS161 4.6 30.4 1.0
CA E:CYS158 4.6 30.3 1.0
CG E:HIS141 4.7 23.3 1.0
N E:LEU142 4.7 23.5 1.0
CA E:CYS139 4.8 27.9 1.0
N E:CYS160 4.8 30.6 1.0
SG E:CYS144 4.8 25.3 1.0
CA E:CYS160 4.8 30.4 1.0
C E:CYS158 4.9 30.4 1.0
O E:CYS158 4.9 30.5 1.0
N E:CYS144 4.9 23.2 1.0
CA E:HIS141 5.0 24.8 1.0

Iron binding site 4 out of 5 in 1sqx

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Iron binding site 4 out of 5 in the Crystal Structure Analysis of Bovine BC1 with Stigmatellin A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure Analysis of Bovine BC1 with Stigmatellin A within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe200

b:86.6
occ:1.00
FE2 E:FES200 0.0 86.6 1.0
ND1 E:HIS141 2.1 22.2 1.0
S2 E:FES200 2.2 88.6 1.0
ND1 E:HIS161 2.2 31.9 1.0
S1 E:FES200 2.2 93.2 1.0
FE1 E:FES200 2.7 93.0 1.0
CG E:HIS141 3.0 23.3 1.0
CE1 E:HIS141 3.1 23.6 1.0
CE1 E:HIS161 3.1 32.1 1.0
CG E:HIS161 3.2 30.5 1.0
CB E:HIS141 3.3 24.7 1.0
CB E:HIS161 3.5 30.4 1.0
N E:HIS161 3.8 30.4 1.0
CB E:CYS160 4.0 30.3 1.0
N E:LEU142 4.1 23.5 1.0
CD2 E:HIS141 4.2 22.2 1.0
NE2 E:HIS141 4.2 23.8 1.0
NE2 E:HIS161 4.3 28.9 1.0
CA E:HIS161 4.3 30.4 1.0
CB E:LEU142 4.3 23.1 1.0
CD2 E:HIS161 4.3 30.3 1.0
SG E:CYS139 4.4 20.0 1.0
CD1 E:LEU142 4.4 19.6 1.0
C E:CYS160 4.5 30.4 1.0
SG E:CYS158 4.5 27.1 1.0
CA E:HIS141 4.5 24.8 1.0
CG E:LEU142 4.5 20.5 1.0
C E:HIS141 4.7 23.9 1.0
CA E:CYS160 4.7 30.4 1.0
CA E:LEU142 4.7 23.3 1.0
CG E:PRO175 4.8 27.8 1.0
OG E:SER163 5.0 28.8 1.0

Iron binding site 5 out of 5 in 1sqx

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Iron binding site 5 out of 5 in the Crystal Structure Analysis of Bovine BC1 with Stigmatellin A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure Analysis of Bovine BC1 with Stigmatellin A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe242

b:27.7
occ:1.00
FE D:HEM242 0.0 27.7 1.0
NC D:HEM242 2.0 28.4 1.0
ND D:HEM242 2.0 28.9 1.0
NB D:HEM242 2.0 27.9 1.0
NA D:HEM242 2.0 28.2 1.0
NE2 D:HIS41 2.3 28.2 1.0
SD D:MET160 2.5 28.4 1.0
C4C D:HEM242 3.0 29.8 1.0
C1C D:HEM242 3.0 30.4 1.0
C1A D:HEM242 3.0 29.4 1.0
C4D D:HEM242 3.0 29.6 1.0
C4B D:HEM242 3.0 26.6 1.0
C4A D:HEM242 3.0 26.4 1.0
C1D D:HEM242 3.0 29.9 1.0
C1B D:HEM242 3.1 27.4 1.0
CE1 D:HIS41 3.2 28.5 1.0
CD2 D:HIS41 3.2 26.6 1.0
CHA D:HEM242 3.5 31.5 1.0
CHC D:HEM242 3.5 30.1 1.0
CHD D:HEM242 3.5 29.6 1.0
CHB D:HEM242 3.5 25.6 1.0
CE D:MET160 3.7 26.6 1.0
CG D:MET160 3.8 29.1 1.0
C3D D:HEM242 4.2 30.9 1.0
C2C D:HEM242 4.3 30.5 1.0
C3C D:HEM242 4.3 31.1 1.0
C2D D:HEM242 4.3 30.4 1.0
C2A D:HEM242 4.3 26.8 1.0
C3A D:HEM242 4.3 25.5 1.0
CB D:MET160 4.3 29.9 1.0
C3B D:HEM242 4.3 25.9 1.0
C2B D:HEM242 4.3 25.9 1.0
ND1 D:HIS41 4.3 32.1 1.0
CG D:HIS41 4.4 29.7 1.0

Reference:

L.Esser, B.Quinn, Y.F.Li, M.Zhang, M.Elberry, L.Yu, C.A.Yu, D.Xia. Crystallographic Studies of Quinol Oxidation Site Inhibitors: A Modified Classification of Inhibitors For the Cytochrome Bc(1) Complex. J.Mol.Biol. V. 341 281 2004.
ISSN: ISSN 0022-2836
PubMed: 15312779
DOI: 10.1016/J.JMB.2004.05.065
Page generated: Sun Dec 13 14:31:56 2020

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