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Fluorine 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 (Fe) 6 atoms
Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Cryoem Structure of Bovine Cytochrome BC1 in Complex with the Anti- Malarial Compound GSK932121, PDB code: 6fo0:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 6fo0

Go back to Fluorine Binding Sites List in 6fo0
Fluorine 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 Fluorine with other atoms in the F 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:F503

b:67.8
occ:1.00
 F1 P:G8U503 0.0 67.8 1.0
C1 P:G8U503 1.4 67.8 1.0
F3 P:G8U503 2.2 67.8 1.0
F2 P:G8U503 2.2 67.8 1.0
O29 P:G8U503 2.2 67.8 1.0
HG3 P:MET190 2.8 59.8 1.0
HD23 P:LEU41 3.2 58.2 1.0
C4 P:G8U503 3.4 67.8 1.0
HA P:MET190 3.7 59.8 1.0
CG P:MET190 3.7 59.8 1.0
HG2 P:MET190 3.9 59.8 1.0
HD11 P:ILE42 3.9 57.8 1.0
C9 P:G8U503 4.0 67.8 1.0
HA2 P:GLY38 4.1 62.2 1.0
CD2 P:LEU41 4.1 58.2 1.0
HG13 P:ILE42 4.1 57.8 1.0
O P:MET190 4.2 59.8 1.0
HB3 P:ALA193 4.2 63.7 1.0
HD21 P:LEU41 4.3 58.2 1.0
C5 P:G8U503 4.4 67.8 1.0
CA P:MET190 4.4 59.8 1.0
HB3 P:LEU41 4.5 58.2 1.0
CB P:MET190 4.6 59.8 1.0
HD22 P:LEU41 4.6 58.2 1.0
HB1 P:ALA193 4.7 63.7 1.0
CD1 P:ILE42 4.7 57.8 1.0
HB2 P:MET190 4.8 59.8 1.0
CG1 P:ILE42 4.8 57.8 1.0
C P:MET190 4.8 59.8 1.0
HG12 P:ILE42 4.8 57.8 1.0
CB P:ALA193 4.9 63.7 1.0
SD P:MET190 4.9 59.8 1.0
HG P:LEU41 4.9 58.2 1.0
HG2 P:MET194 4.9 64.9 1.0
O P:GLY38 4.9 62.2 1.0
CA P:GLY38 4.9 62.2 1.0
CG P:LEU41 5.0 58.2 1.0

Fluorine binding site 2 out of 6 in 6fo0

Go back to Fluorine Binding Sites List in 6fo0
Fluorine 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 Fluorine with other atoms in the F 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:F503

b:67.8
occ:1.00
 F2 P:G8U503 0.0 67.8 1.0
C1 P:G8U503 1.4 67.8 1.0
F3 P:G8U503 2.2 67.8 1.0
F1 P:G8U503 2.2 67.8 1.0
O29 P:G8U503 2.2 67.8 1.0
SD P:MET194 3.2 64.9 1.0
C4 P:G8U503 3.2 67.8 1.0
HG2 P:MET194 3.5 64.9 1.0
C5 P:G8U503 3.5 67.8 1.0
HB3 P:ALA193 3.6 63.7 1.0
HB1 P:ALA193 3.8 63.7 1.0
CG P:MET194 3.9 64.9 1.0
O P:MET190 4.0 59.8 1.0
CB P:ALA193 4.2 63.7 1.0
HG3 P:MET190 4.3 59.8 1.0
C9 P:G8U503 4.4 67.8 1.0
HD12 P:LEU197 4.4 64.1 1.0
HA P:MET194 4.5 64.9 1.0
HG3 P:MET194 4.5 64.9 1.0
HD11 P:LEU197 4.6 64.1 1.0
N P:MET194 4.6 64.9 1.0
HA P:MET190 4.6 59.8 1.0
H P:MET194 4.6 64.9 1.0
HG2 P:MET190 4.7 59.8 1.0
C P:ALA193 4.8 63.7 1.0
C6 P:G8U503 4.8 67.8 1.0
CE P:MET194 4.8 64.9 1.0
HD23 P:LEU41 4.8 58.2 1.0
HB2 P:ALA193 4.9 63.7 1.0
CA P:MET194 4.9 64.9 1.0
CD1 P:LEU197 5.0 64.1 1.0
CG P:MET190 5.0 59.8 1.0
HE1 P:MET194 5.0 64.9 1.0

Fluorine binding site 3 out of 6 in 6fo0

Go back to Fluorine Binding Sites List in 6fo0
Fluorine 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 Fluorine with other atoms in the F 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
P:F503

b:67.8
occ:1.00
 F3 P:G8U503 0.0 67.8 1.0
C1 P:G8U503 1.4 67.8 1.0
F1 P:G8U503 2.2 67.8 1.0
F2 P:G8U503 2.2 67.8 1.0
O29 P:G8U503 2.3 67.8 1.0
C4 P:G8U503 2.5 67.8 1.0
C5 P:G8U503 3.1 67.8 1.0
C9 P:G8U503 3.1 67.8 1.0
HD11 P:ILE42 3.5 57.8 1.0
C6 P:G8U503 4.0 67.8 1.0
C8 P:G8U503 4.1 67.8 1.0
SD P:MET194 4.3 64.9 1.0
HG3 P:MET190 4.4 59.8 1.0
C7 P:G8U503 4.5 67.8 1.0
CD1 P:ILE42 4.5 57.8 1.0
HD13 P:ILE42 4.9 57.8 1.0
HG13 P:ILE42 4.9 57.8 1.0
HA2 P:GLY38 4.9 62.2 1.0
HG2 P:MET190 4.9 59.8 1.0
HD12 P:ILE42 5.0 57.8 1.0

Fluorine binding site 4 out of 6 in 6fo0

Go back to Fluorine Binding Sites List in 6fo0
Fluorine 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 Fluorine with other atoms in the F 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:F503

b:69.9
occ:1.00
 F1 C:G8U503 0.0 69.9 1.0
C1 C:G8U503 1.4 69.9 1.0
F3 C:G8U503 2.2 69.9 1.0
F2 C:G8U503 2.2 69.9 1.0
O29 C:G8U503 2.2 69.9 1.0
HG3 C:MET190 2.8 61.3 1.0
HD23 C:LEU41 3.3 59.6 1.0
C4 C:G8U503 3.3 69.9 1.0
HD11 C:ILE42 3.6 59.3 1.0
C9 C:G8U503 3.7 69.9 1.0
CG C:MET190 3.7 61.3 1.0
HA C:MET190 3.8 61.3 1.0
HG2 C:MET190 3.9 61.3 1.0
HG13 C:ILE42 4.0 59.3 1.0
HA2 C:GLY38 4.0 63.7 1.0
CD2 C:LEU41 4.2 59.6 1.0
O C:MET190 4.3 61.3 1.0
C5 C:G8U503 4.4 69.9 1.0
HD21 C:LEU41 4.4 59.6 1.0
HB3 C:ALA193 4.4 65.1 1.0
CD1 C:ILE42 4.5 59.3 1.0
HB3 C:LEU41 4.5 59.6 1.0
CG1 C:ILE42 4.6 59.3 1.0
CA C:MET190 4.6 61.3 1.0
HG12 C:ILE42 4.6 59.3 1.0
CB C:MET190 4.6 61.3 1.0
HD22 C:LEU41 4.7 59.6 1.0
O C:GLY38 4.8 63.7 1.0
SD C:MET190 4.8 61.3 1.0
HB2 C:MET190 4.8 61.3 1.0
HG C:LEU41 4.9 59.6 1.0
HB1 C:ALA193 4.9 65.1 1.0
CA C:GLY38 4.9 63.7 1.0
C C:MET190 5.0 61.3 1.0
HD12 C:ILE42 5.0 59.3 1.0

Fluorine binding site 5 out of 6 in 6fo0

Go back to Fluorine Binding Sites List in 6fo0
Fluorine 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 Fluorine with other atoms in the F 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:F503

b:69.9
occ:1.00
 F2 C:G8U503 0.0 69.9 1.0
C1 C:G8U503 1.4 69.9 1.0
F3 C:G8U503 2.2 69.9 1.0
F1 C:G8U503 2.2 69.9 1.0
O29 C:G8U503 2.2 69.9 1.0
SD C:MET194 3.1 66.3 1.0
C4 C:G8U503 3.3 69.9 1.0
HG2 C:MET194 3.3 66.3 1.0
HB3 C:ALA193 3.6 65.1 1.0
O C:MET190 3.7 61.3 1.0
C5 C:G8U503 3.7 69.9 1.0
CG C:MET194 3.8 66.3 1.0
HB1 C:ALA193 3.9 65.1 1.0
HG3 C:MET190 4.0 61.3 1.0
CB C:ALA193 4.2 65.1 1.0
HG2 C:MET190 4.4 61.3 1.0
HG3 C:MET194 4.4 66.3 1.0
HA C:MET190 4.4 61.3 1.0
C9 C:G8U503 4.4 69.9 1.0
H C:MET194 4.5 66.3 1.0
HA C:MET194 4.5 66.3 1.0
N C:MET194 4.6 66.3 1.0
HD12 C:LEU197 4.6 65.3 1.0
CG C:MET190 4.7 61.3 1.0
C C:MET190 4.7 61.3 1.0
HD23 C:LEU41 4.7 59.6 1.0
CE C:MET194 4.8 66.3 1.0
C C:ALA193 4.8 65.1 1.0
HB2 C:ALA193 4.9 65.1 1.0
HD11 C:LEU197 4.9 65.3 1.0
CA C:MET194 4.9 66.3 1.0
CB C:MET194 5.0 66.3 1.0

Fluorine binding site 6 out of 6 in 6fo0

Go back to Fluorine Binding Sites List in 6fo0
Fluorine 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 Fluorine with other atoms in the F 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
C:F503

b:69.9
occ:1.00
 F3 C:G8U503 0.0 69.9 1.0
C1 C:G8U503 1.4 69.9 1.0
F2 C:G8U503 2.2 69.9 1.0
F1 C:G8U503 2.2 69.9 1.0
O29 C:G8U503 2.3 69.9 1.0
C4 C:G8U503 2.5 69.9 1.0
C5 C:G8U503 3.1 69.9 1.0
C9 C:G8U503 3.1 69.9 1.0
HD11 C:ILE42 3.6 59.3 1.0
C8 C:G8U503 4.0 69.9 1.0
C6 C:G8U503 4.0 69.9 1.0
SD C:MET194 4.2 66.3 1.0
HG3 C:MET190 4.4 61.3 1.0
C7 C:G8U503 4.4 69.9 1.0
CD1 C:ILE42 4.6 59.3 1.0
HG2 C:MET190 4.9 61.3 1.0
HD13 C:ILE42 4.9 59.3 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: Thu Aug 1 20:10:04 2024

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