Iron in PDB 6fo0: Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121
Enzymatic activity of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121
All present enzymatic activity of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121:
1.10.2.2;
Other elements in 6fo0:
The structure of Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121 also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121
(pdb code 6fo0). 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 Compound GSK932121, PDB code: 6fo0:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
Iron binding site 1 out
of 6 in 6fo0
Go back to
Iron Binding Sites List in 6fo0
Iron binding site 1 out
of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121
 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 Compound GSK932121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
P:Fe501
b:53.1
occ:1.00
|
FE
|
P:HEM501
|
0.0
|
53.1
|
1.0
|
|
ND
|
P:HEM501
|
1.9
|
53.1
|
1.0
|
|
NA
|
P:HEM501
|
2.0
|
53.1
|
1.0
|
|
NC
|
P:HEM501
|
2.1
|
53.1
|
1.0
|
|
HE2
|
P:HIS182
|
2.1
|
55.5
|
1.0
|
|
HE1
|
P:HIS83
|
2.1
|
53.2
|
1.0
|
|
NB
|
P:HEM501
|
2.2
|
53.1
|
1.0
|
|
NE2
|
P:HIS182
|
2.8
|
55.5
|
1.0
|
|
C4D
|
P:HEM501
|
2.9
|
53.1
|
1.0
|
|
C1D
|
P:HEM501
|
2.9
|
53.1
|
1.0
|
|
CE1
|
P:HIS83
|
2.9
|
53.2
|
1.0
|
|
C1A
|
P:HEM501
|
3.0
|
53.1
|
1.0
|
|
C4A
|
P:HEM501
|
3.0
|
53.1
|
1.0
|
|
C4C
|
P:HEM501
|
3.0
|
53.1
|
1.0
|
|
C1C
|
P:HEM501
|
3.1
|
53.1
|
1.0
|
|
C1B
|
P:HEM501
|
3.2
|
53.1
|
1.0
|
|
C4B
|
P:HEM501
|
3.3
|
53.1
|
1.0
|
|
CHA
|
P:HEM501
|
3.3
|
53.1
|
1.0
|
|
CHD
|
P:HEM501
|
3.3
|
53.1
|
1.0
|
|
CHB
|
P:HEM501
|
3.4
|
53.1
|
1.0
|
|
HA3
|
P:GLY130
|
3.4
|
56.5
|
1.0
|
|
HD2
|
P:HIS182
|
3.5
|
55.5
|
1.0
|
|
CD2
|
P:HIS182
|
3.5
|
55.5
|
1.0
|
|
CHC
|
P:HEM501
|
3.6
|
53.1
|
1.0
|
|
HA2
|
P:GLY130
|
3.6
|
56.5
|
1.0
|
|
NE2
|
P:HIS83
|
3.7
|
53.2
|
1.0
|
|
ND1
|
P:HIS83
|
3.8
|
53.2
|
1.0
|
|
CE1
|
P:HIS182
|
3.8
|
55.5
|
1.0
|
|
HD1
|
P:HIS83
|
3.9
|
53.2
|
1.0
|
|
HD12
|
P:LEU133
|
3.9
|
56.0
|
1.0
|
|
CA
|
P:GLY130
|
4.0
|
56.5
|
1.0
|
|
C3D
|
P:HEM501
|
4.0
|
53.1
|
1.0
|
|
C2D
|
P:HEM501
|
4.0
|
53.1
|
1.0
|
|
HE1
|
P:HIS182
|
4.1
|
55.5
|
1.0
|
|
HE21
|
P:GLN44
|
4.1
|
54.0
|
1.0
|
|
C3A
|
P:HEM501
|
4.2
|
53.1
|
1.0
|
|
C2A
|
P:HEM501
|
4.2
|
53.1
|
1.0
|
|
C3C
|
P:HEM501
|
4.3
|
53.1
|
1.0
|
|
C2C
|
P:HEM501
|
4.3
|
53.1
|
1.0
|
|
O
|
P:GLY130
|
4.3
|
56.5
|
1.0
|
|
HD11
|
P:LEU133
|
4.4
|
56.0
|
1.0
|
|
C2B
|
P:HEM501
|
4.4
|
53.1
|
1.0
|
|
C3B
|
P:HEM501
|
4.5
|
53.1
|
1.0
|
|
CD1
|
P:LEU133
|
4.6
|
56.0
|
1.0
|
|
C
|
P:GLY130
|
4.6
|
56.5
|
1.0
|
|
CG
|
P:HIS182
|
4.7
|
55.5
|
1.0
|
|
ND1
|
P:HIS182
|
4.8
|
55.5
|
1.0
|
|
CD2
|
P:HIS83
|
4.9
|
53.2
|
1.0
|
|
CG
|
P:HIS83
|
4.9
|
53.2
|
1.0
|
|
NE2
|
P:GLN44
|
5.0
|
54.0
|
1.0
|
|
Iron binding site 2 out
of 6 in 6fo0
Go back to
Iron Binding Sites List in 6fo0
Iron binding site 2 out
of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121
 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 Compound GSK932121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
P:Fe502
b:60.8
occ:1.00
|
FE
|
P:HEM502
|
0.0
|
60.8
|
1.0
|
|
NB
|
P:HEM502
|
1.9
|
60.8
|
1.0
|
|
NC
|
P:HEM502
|
2.0
|
60.8
|
1.0
|
|
NA
|
P:HEM502
|
2.0
|
60.8
|
1.0
|
|
HE2
|
P:HIS196
|
2.2
|
61.8
|
1.0
|
|
ND
|
P:HEM502
|
2.2
|
60.8
|
1.0
|
|
HE2
|
P:HIS97
|
2.2
|
61.7
|
1.0
|
|
NE2
|
P:HIS196
|
2.7
|
61.8
|
1.0
|
|
NE2
|
P:HIS97
|
2.7
|
61.7
|
1.0
|
|
C4B
|
P:HEM502
|
2.9
|
60.8
|
1.0
|
|
C1C
|
P:HEM502
|
2.9
|
60.8
|
1.0
|
|
C1B
|
P:HEM502
|
3.0
|
60.8
|
1.0
|
|
C4A
|
P:HEM502
|
3.0
|
60.8
|
1.0
|
|
C1A
|
P:HEM502
|
3.0
|
60.8
|
1.0
|
|
C4C
|
P:HEM502
|
3.1
|
60.8
|
1.0
|
|
C1D
|
P:HEM502
|
3.2
|
60.8
|
1.0
|
|
C4D
|
P:HEM502
|
3.2
|
60.8
|
1.0
|
|
HD2
|
P:HIS196
|
3.3
|
61.8
|
1.0
|
|
CHC
|
P:HEM502
|
3.3
|
60.8
|
1.0
|
|
CD2
|
P:HIS196
|
3.3
|
61.8
|
1.0
|
|
CHB
|
P:HEM502
|
3.3
|
60.8
|
1.0
|
|
CD2
|
P:HIS97
|
3.4
|
61.7
|
1.0
|
|
HD2
|
P:HIS97
|
3.5
|
61.7
|
1.0
|
|
CHD
|
P:HEM502
|
3.5
|
60.8
|
1.0
|
|
CHA
|
P:HEM502
|
3.5
|
60.8
|
1.0
|
|
CE1
|
P:HIS97
|
3.6
|
61.7
|
1.0
|
|
CE1
|
P:HIS196
|
3.8
|
61.8
|
1.0
|
|
HE1
|
P:HIS97
|
3.9
|
61.7
|
1.0
|
|
HE1
|
P:HIS196
|
4.1
|
61.8
|
1.0
|
|
C2C
|
P:HEM502
|
4.1
|
60.8
|
1.0
|
|
C3B
|
P:HEM502
|
4.1
|
60.8
|
1.0
|
|
C3A
|
P:HEM502
|
4.2
|
60.8
|
1.0
|
|
C2B
|
P:HEM502
|
4.2
|
60.8
|
1.0
|
|
C2A
|
P:HEM502
|
4.2
|
60.8
|
1.0
|
|
C3C
|
P:HEM502
|
4.2
|
60.8
|
1.0
|
|
HD12
|
P:LEU37
|
4.3
|
60.2
|
1.0
|
|
C2D
|
P:HEM502
|
4.4
|
60.8
|
1.0
|
|
C3D
|
P:HEM502
|
4.4
|
60.8
|
1.0
|
|
CG
|
P:HIS97
|
4.5
|
61.7
|
1.0
|
|
CG
|
P:HIS196
|
4.5
|
61.8
|
1.0
|
|
HA2
|
P:GLY34
|
4.5
|
60.9
|
1.0
|
|
ND1
|
P:HIS97
|
4.6
|
61.7
|
1.0
|
|
ND1
|
P:HIS196
|
4.7
|
61.8
|
1.0
|
|
HD12
|
P:LEU119
|
4.8
|
62.0
|
1.0
|
|
HH21
|
P:ARG100
|
4.9
|
62.3
|
1.0
|
|
O
|
P:GLY34
|
4.9
|
60.9
|
1.0
|
|
Iron binding site 3 out
of 6 in 6fo0
Go back to
Iron Binding Sites List in 6fo0
Iron binding site 3 out
of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121
 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 Compound GSK932121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Q:Fe501
b:50.7
occ:1.00
|
FE
|
Q:HEC501
|
0.0
|
50.7
|
1.0
|
|
NA
|
Q:HEC501
|
1.9
|
50.7
|
1.0
|
|
ND
|
Q:HEC501
|
2.0
|
50.7
|
1.0
|
|
NC
|
Q:HEC501
|
2.1
|
50.7
|
1.0
|
|
NB
|
Q:HEC501
|
2.1
|
50.7
|
1.0
|
|
HE2
|
Q:MET160
|
2.4
|
51.6
|
1.0
|
|
NE2
|
Q:HIS41
|
2.6
|
52.0
|
1.0
|
|
HE1
|
Q:HIS41
|
2.6
|
52.0
|
1.0
|
|
HE1
|
Q:MET160
|
2.6
|
51.6
|
1.0
|
|
CE
|
Q:MET160
|
2.7
|
51.6
|
1.0
|
|
CE1
|
Q:HIS41
|
2.9
|
52.0
|
1.0
|
|
C1A
|
Q:HEC501
|
2.9
|
50.7
|
1.0
|
|
C4D
|
Q:HEC501
|
3.0
|
50.7
|
1.0
|
|
SD
|
Q:MET160
|
3.0
|
51.6
|
1.0
|
|
C1D
|
Q:HEC501
|
3.0
|
50.7
|
1.0
|
|
C4A
|
Q:HEC501
|
3.0
|
50.7
|
1.0
|
|
C4C
|
Q:HEC501
|
3.0
|
50.7
|
1.0
|
|
C1B
|
Q:HEC501
|
3.1
|
50.7
|
1.0
|
|
C4B
|
Q:HEC501
|
3.1
|
50.7
|
1.0
|
|
C1C
|
Q:HEC501
|
3.1
|
50.7
|
1.0
|
|
CHA
|
Q:HEC501
|
3.2
|
50.7
|
1.0
|
|
CHD
|
Q:HEC501
|
3.4
|
50.7
|
1.0
|
|
CHB
|
Q:HEC501
|
3.5
|
50.7
|
1.0
|
|
CHC
|
Q:HEC501
|
3.5
|
50.7
|
1.0
|
|
HE3
|
Q:MET160
|
3.7
|
51.6
|
1.0
|
|
CD2
|
Q:HIS41
|
3.9
|
52.0
|
1.0
|
|
C2A
|
Q:HEC501
|
4.1
|
50.7
|
1.0
|
|
ND1
|
Q:HIS41
|
4.2
|
52.0
|
1.0
|
|
C3D
|
Q:HEC501
|
4.2
|
50.7
|
1.0
|
|
C2D
|
Q:HEC501
|
4.2
|
50.7
|
1.0
|
|
C3A
|
Q:HEC501
|
4.2
|
50.7
|
1.0
|
|
C3C
|
Q:HEC501
|
4.2
|
50.7
|
1.0
|
|
C2B
|
Q:HEC501
|
4.3
|
50.7
|
1.0
|
|
C2C
|
Q:HEC501
|
4.3
|
50.7
|
1.0
|
|
C3B
|
Q:HEC501
|
4.3
|
50.7
|
1.0
|
|
HD2
|
Q:HIS41
|
4.3
|
52.0
|
1.0
|
|
HB3
|
Q:PRO110
|
4.5
|
52.8
|
1.0
|
|
CG
|
Q:HIS41
|
4.7
|
52.0
|
1.0
|
|
CG
|
Q:MET160
|
4.7
|
51.6
|
1.0
|
|
HD1
|
Q:HIS41
|
4.8
|
52.0
|
1.0
|
|
HG3
|
Q:PRO163
|
4.8
|
53.3
|
1.0
|
|
HG2
|
Q:MET160
|
4.8
|
51.6
|
1.0
|
|
HB3
|
Q:PRO163
|
4.9
|
53.3
|
1.0
|
|
Iron binding site 4 out
of 6 in 6fo0
Go back to
Iron Binding Sites List in 6fo0
Iron binding site 4 out
of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121
 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 Compound GSK932121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe501
b:54.8
occ:1.00
|
FE
|
C:HEM501
|
0.0
|
54.8
|
1.0
|
|
ND
|
C:HEM501
|
1.9
|
54.8
|
1.0
|
|
NA
|
C:HEM501
|
2.0
|
54.8
|
1.0
|
|
NC
|
C:HEM501
|
2.1
|
54.8
|
1.0
|
|
HE2
|
C:HIS182
|
2.1
|
57.6
|
1.0
|
|
HE1
|
C:HIS83
|
2.1
|
54.8
|
1.0
|
|
NB
|
C:HEM501
|
2.2
|
54.8
|
1.0
|
|
NE2
|
C:HIS182
|
2.8
|
57.6
|
1.0
|
|
C4D
|
C:HEM501
|
2.9
|
54.8
|
1.0
|
|
C1D
|
C:HEM501
|
2.9
|
54.8
|
1.0
|
|
CE1
|
C:HIS83
|
2.9
|
54.8
|
1.0
|
|
C1A
|
C:HEM501
|
3.0
|
54.8
|
1.0
|
|
C4A
|
C:HEM501
|
3.0
|
54.8
|
1.0
|
|
C4C
|
C:HEM501
|
3.0
|
54.8
|
1.0
|
|
C1C
|
C:HEM501
|
3.1
|
54.8
|
1.0
|
|
C1B
|
C:HEM501
|
3.2
|
54.8
|
1.0
|
|
C4B
|
C:HEM501
|
3.3
|
54.8
|
1.0
|
|
CHA
|
C:HEM501
|
3.3
|
54.8
|
1.0
|
|
CHD
|
C:HEM501
|
3.3
|
54.8
|
1.0
|
|
CHB
|
C:HEM501
|
3.4
|
54.8
|
1.0
|
|
HA3
|
C:GLY130
|
3.5
|
58.1
|
1.0
|
|
HD2
|
C:HIS182
|
3.5
|
57.6
|
1.0
|
|
CD2
|
C:HIS182
|
3.5
|
57.6
|
1.0
|
|
CHC
|
C:HEM501
|
3.6
|
54.8
|
1.0
|
|
HA2
|
C:GLY130
|
3.6
|
58.1
|
1.0
|
|
NE2
|
C:HIS83
|
3.7
|
54.8
|
1.0
|
|
ND1
|
C:HIS83
|
3.8
|
54.8
|
1.0
|
|
CE1
|
C:HIS182
|
3.9
|
57.6
|
1.0
|
|
HD1
|
C:HIS83
|
3.9
|
54.8
|
1.0
|
|
HD12
|
C:LEU133
|
3.9
|
57.8
|
1.0
|
|
C3D
|
C:HEM501
|
4.0
|
54.8
|
1.0
|
|
C2D
|
C:HEM501
|
4.0
|
54.8
|
1.0
|
|
CA
|
C:GLY130
|
4.0
|
58.1
|
1.0
|
|
HE1
|
C:HIS182
|
4.1
|
57.6
|
1.0
|
|
HE21
|
C:GLN44
|
4.1
|
56.1
|
1.0
|
|
C3A
|
C:HEM501
|
4.2
|
54.8
|
1.0
|
|
C2A
|
C:HEM501
|
4.2
|
54.8
|
1.0
|
|
C3C
|
C:HEM501
|
4.3
|
54.8
|
1.0
|
|
C2C
|
C:HEM501
|
4.3
|
54.8
|
1.0
|
|
O
|
C:GLY130
|
4.4
|
58.1
|
1.0
|
|
HD11
|
C:LEU133
|
4.4
|
57.8
|
1.0
|
|
C2B
|
C:HEM501
|
4.4
|
54.8
|
1.0
|
|
C3B
|
C:HEM501
|
4.5
|
54.8
|
1.0
|
|
CD1
|
C:LEU133
|
4.6
|
57.8
|
1.0
|
|
C
|
C:GLY130
|
4.7
|
58.1
|
1.0
|
|
CG
|
C:HIS182
|
4.7
|
57.6
|
1.0
|
|
ND1
|
C:HIS182
|
4.9
|
57.6
|
1.0
|
|
CD2
|
C:HIS83
|
4.9
|
54.8
|
1.0
|
|
CG
|
C:HIS83
|
4.9
|
54.8
|
1.0
|
|
NE2
|
C:GLN44
|
5.0
|
56.1
|
1.0
|
|
HD13
|
C:LEU133
|
5.0
|
57.8
|
1.0
|
|
Iron binding site 5 out
of 6 in 6fo0
Go back to
Iron Binding Sites List in 6fo0
Iron binding site 5 out
of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121
 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 Compound GSK932121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe502
b:61.5
occ:1.00
|
FE
|
C:HEM502
|
0.0
|
61.5
|
1.0
|
|
NB
|
C:HEM502
|
1.9
|
61.5
|
1.0
|
|
NC
|
C:HEM502
|
2.0
|
61.5
|
1.0
|
|
NA
|
C:HEM502
|
2.0
|
61.5
|
1.0
|
|
HE2
|
C:HIS196
|
2.2
|
63.5
|
1.0
|
|
ND
|
C:HEM502
|
2.2
|
61.5
|
1.0
|
|
HE2
|
C:HIS97
|
2.2
|
62.5
|
1.0
|
|
NE2
|
C:HIS97
|
2.7
|
62.5
|
1.0
|
|
NE2
|
C:HIS196
|
2.8
|
63.5
|
1.0
|
|
C4B
|
C:HEM502
|
2.9
|
61.5
|
1.0
|
|
C1C
|
C:HEM502
|
2.9
|
61.5
|
1.0
|
|
C1B
|
C:HEM502
|
3.0
|
61.5
|
1.0
|
|
C4A
|
C:HEM502
|
3.0
|
61.5
|
1.0
|
|
C1A
|
C:HEM502
|
3.0
|
61.5
|
1.0
|
|
C4C
|
C:HEM502
|
3.1
|
61.5
|
1.0
|
|
C1D
|
C:HEM502
|
3.2
|
61.5
|
1.0
|
|
C4D
|
C:HEM502
|
3.2
|
61.5
|
1.0
|
|
HD2
|
C:HIS196
|
3.3
|
63.5
|
1.0
|
|
CHC
|
C:HEM502
|
3.3
|
61.5
|
1.0
|
|
CD2
|
C:HIS196
|
3.3
|
63.5
|
1.0
|
|
CHB
|
C:HEM502
|
3.3
|
61.5
|
1.0
|
|
CD2
|
C:HIS97
|
3.4
|
62.5
|
1.0
|
|
CHD
|
C:HEM502
|
3.5
|
61.5
|
1.0
|
|
HD2
|
C:HIS97
|
3.5
|
62.5
|
1.0
|
|
CHA
|
C:HEM502
|
3.5
|
61.5
|
1.0
|
|
CE1
|
C:HIS97
|
3.6
|
62.5
|
1.0
|
|
CE1
|
C:HIS196
|
3.8
|
63.5
|
1.0
|
|
HE1
|
C:HIS97
|
3.9
|
62.5
|
1.0
|
|
HE1
|
C:HIS196
|
4.1
|
63.5
|
1.0
|
|
C3B
|
C:HEM502
|
4.1
|
61.5
|
1.0
|
|
C2C
|
C:HEM502
|
4.1
|
61.5
|
1.0
|
|
C3A
|
C:HEM502
|
4.2
|
61.5
|
1.0
|
|
C2B
|
C:HEM502
|
4.2
|
61.5
|
1.0
|
|
C2A
|
C:HEM502
|
4.2
|
61.5
|
1.0
|
|
C3C
|
C:HEM502
|
4.2
|
61.5
|
1.0
|
|
HD12
|
C:LEU37
|
4.3
|
61.6
|
1.0
|
|
C2D
|
C:HEM502
|
4.4
|
61.5
|
1.0
|
|
C3D
|
C:HEM502
|
4.4
|
61.5
|
1.0
|
|
CG
|
C:HIS97
|
4.5
|
62.5
|
1.0
|
|
CG
|
C:HIS196
|
4.5
|
63.5
|
1.0
|
|
HA2
|
C:GLY34
|
4.5
|
62.2
|
1.0
|
|
ND1
|
C:HIS97
|
4.6
|
62.5
|
1.0
|
|
ND1
|
C:HIS196
|
4.7
|
63.5
|
1.0
|
|
HD12
|
C:LEU119
|
4.8
|
63.2
|
1.0
|
|
HH21
|
C:ARG100
|
4.9
|
63.3
|
1.0
|
|
O
|
C:GLY34
|
4.9
|
62.2
|
1.0
|
|
Iron binding site 6 out
of 6 in 6fo0
Go back to
Iron Binding Sites List in 6fo0
Iron binding site 6 out
of 6 in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121
 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 Compound GSK932121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe501
b:50.7
occ:1.00
|
FE
|
D:HEC501
|
0.0
|
50.7
|
1.0
|
|
HE1
|
D:MET160
|
1.7
|
55.9
|
1.0
|
|
NA
|
D:HEC501
|
1.9
|
50.7
|
1.0
|
|
ND
|
D:HEC501
|
2.0
|
50.7
|
1.0
|
|
NC
|
D:HEC501
|
2.1
|
50.7
|
1.0
|
|
NB
|
D:HEC501
|
2.1
|
50.7
|
1.0
|
|
NE2
|
D:HIS41
|
2.5
|
57.3
|
1.0
|
|
CE
|
D:MET160
|
2.6
|
55.9
|
1.0
|
|
HE2
|
D:MET160
|
2.8
|
55.9
|
1.0
|
|
C1A
|
D:HEC501
|
2.9
|
50.7
|
1.0
|
|
HE1
|
D:HIS41
|
2.9
|
57.3
|
1.0
|
|
C4D
|
D:HEC501
|
3.0
|
50.7
|
1.0
|
|
C1D
|
D:HEC501
|
3.0
|
50.7
|
1.0
|
|
C4A
|
D:HEC501
|
3.0
|
50.7
|
1.0
|
|
C4C
|
D:HEC501
|
3.0
|
50.7
|
1.0
|
|
CE1
|
D:HIS41
|
3.0
|
57.3
|
1.0
|
|
C1B
|
D:HEC501
|
3.1
|
50.7
|
1.0
|
|
SD
|
D:MET160
|
3.1
|
55.9
|
1.0
|
|
C4B
|
D:HEC501
|
3.1
|
50.7
|
1.0
|
|
C1C
|
D:HEC501
|
3.1
|
50.7
|
1.0
|
|
CHA
|
D:HEC501
|
3.2
|
50.7
|
1.0
|
|
HE3
|
D:MET160
|
3.3
|
55.9
|
1.0
|
|
CHD
|
D:HEC501
|
3.4
|
50.7
|
1.0
|
|
CHB
|
D:HEC501
|
3.4
|
50.7
|
1.0
|
|
CHC
|
D:HEC501
|
3.5
|
50.7
|
1.0
|
|
CD2
|
D:HIS41
|
3.7
|
57.3
|
1.0
|
|
HD2
|
D:HIS41
|
4.0
|
57.3
|
1.0
|
|
C2A
|
D:HEC501
|
4.1
|
50.7
|
1.0
|
|
C3D
|
D:HEC501
|
4.2
|
50.7
|
1.0
|
|
C3A
|
D:HEC501
|
4.2
|
50.7
|
1.0
|
|
C2D
|
D:HEC501
|
4.2
|
50.7
|
1.0
|
|
C3C
|
D:HEC501
|
4.2
|
50.7
|
1.0
|
|
C2B
|
D:HEC501
|
4.3
|
50.7
|
1.0
|
|
ND1
|
D:HIS41
|
4.3
|
57.3
|
1.0
|
|
C2C
|
D:HEC501
|
4.3
|
50.7
|
1.0
|
|
C3B
|
D:HEC501
|
4.3
|
50.7
|
1.0
|
|
HG3
|
D:PRO163
|
4.4
|
59.1
|
1.0
|
|
HB3
|
D:PRO163
|
4.4
|
59.1
|
1.0
|
|
CG
|
D:HIS41
|
4.6
|
57.3
|
1.0
|
|
HB3
|
D:PRO110
|
4.7
|
59.2
|
1.0
|
|
CG
|
D:MET160
|
4.8
|
55.9
|
1.0
|
|
HG2
|
D:MET160
|
4.9
|
55.9
|
1.0
|
|
HD1
|
D:HIS41
|
4.9
|
57.3
|
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 18:31:42 2024
|
