Fluorine in PDB 7rje: Complex III2 From Candida Albicans, Inz-5 Bound

Enzymatic activity of Complex III2 From Candida Albicans, Inz-5 Bound

All present enzymatic activity of Complex III2 From Candida Albicans, Inz-5 Bound:
7.1.1.8;

Other elements in 7rje:

The structure of Complex III2 From Candida Albicans, Inz-5 Bound also contains other interesting chemical elements:

Iron (Fe) 10 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Complex III2 From Candida Albicans, Inz-5 Bound (pdb code 7rje). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Complex III2 From Candida Albicans, Inz-5 Bound, PDB code: 7rje:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 7rje

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Fluorine binding site 1 out of 8 in the Complex III2 From Candida Albicans, Inz-5 Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Complex III2 From Candida Albicans, Inz-5 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F403

b:98.0
occ:1.00
F12 K:ZL5403 0.0 98.0 1.0
C11 K:ZL5403 1.4 98.0 1.0
F13 K:ZL5403 2.2 98.0 1.0
F14 K:ZL5403 2.2 98.0 1.0
C10 K:ZL5403 2.4 98.0 1.0
H091 K:ZL5403 2.4 98.0 1.0
HB3 K:PHE129 2.7 97.3 1.0
C09 K:ZL5403 2.7 98.0 1.0
HB2 K:PHE129 2.8 97.3 1.0
CB K:PHE129 3.0 97.3 1.0
CG K:PHE129 3.1 97.3 1.0
CD2 K:PHE129 3.4 97.3 1.0
HD2 K:PHE129 3.4 97.3 1.0
HA K:ALA126 3.6 89.7 1.0
C15 K:ZL5403 3.6 98.0 1.0
HG21 K:ILE147 3.7 104.0 1.0
CD1 K:PHE129 3.7 97.3 1.0
H151 K:ZL5403 4.0 98.0 1.0
HD1 K:PHE129 4.0 97.3 1.0
C08 K:ZL5403 4.0 98.0 1.0
HG13 K:ILE147 4.1 104.0 1.0
CE2 K:PHE129 4.2 97.3 1.0
O K:MET125 4.3 89.7 1.0
CA K:ALA126 4.5 89.7 1.0
CE1 K:PHE129 4.5 97.3 1.0
CA K:PHE129 4.5 97.3 1.0
H K:PHE129 4.6 97.3 1.0
HG3 K:MET125 4.7 89.7 1.0
CG2 K:ILE147 4.7 104.0 1.0
CZ K:PHE129 4.7 97.3 1.0
HE2 K:PHE129 4.7 97.3 1.0
HD13 K:ILE147 4.7 104.0 1.0
HB3 K:ALA126 4.8 89.7 1.0
C K:MET125 4.8 89.7 1.0
C16 K:ZL5403 4.8 98.0 1.0
N K:ALA126 4.9 89.7 1.0
N19 K:ZL5403 4.9 98.0 1.0
HG22 K:ILE147 4.9 104.0 1.0
CG1 K:ILE147 4.9 104.0 1.0
C07 K:ZL5403 5.0 98.0 1.0
C17 K:ZL5403 5.0 98.0 1.0
HA K:PHE129 5.0 97.3 1.0
HD11 K:ILE147 5.0 104.0 1.0

Fluorine binding site 2 out of 8 in 7rje

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Fluorine binding site 2 out of 8 in the Complex III2 From Candida Albicans, Inz-5 Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Complex III2 From Candida Albicans, Inz-5 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F403

b:98.0
occ:1.00
F13 K:ZL5403 0.0 98.0 1.0
C11 K:ZL5403 1.4 98.0 1.0
F12 K:ZL5403 2.2 98.0 1.0
F14 K:ZL5403 2.2 98.0 1.0
C10 K:ZL5403 2.4 98.0 1.0
HG3 K:MET125 2.7 89.7 1.0
H151 K:ZL5403 2.8 98.0 1.0
C15 K:ZL5403 2.9 98.0 1.0
CG K:MET125 3.5 89.7 1.0
C09 K:ZL5403 3.5 98.0 1.0
HB2 K:MET125 3.5 89.7 1.0
HA K:ALA126 3.5 89.7 1.0
H091 K:ZL5403 3.8 98.0 1.0
C K:MET125 3.9 89.7 1.0
SD K:MET125 3.9 89.7 1.0
N K:ALA126 4.0 89.7 1.0
O K:MET125 4.0 89.7 1.0
HD12 K:LEU275 4.0 92.0 1.0
CB K:MET125 4.0 89.7 1.0
HB3 K:PHE129 4.0 97.3 1.0
HB3 K:ALA126 4.0 89.7 1.0
HB2 K:PHE129 4.1 97.3 1.0
CA K:ALA126 4.2 89.7 1.0
HG2 K:MET125 4.3 89.7 1.0
H K:ALA126 4.3 89.7 1.0
HD11 K:LEU275 4.3 92.0 1.0
C16 K:ZL5403 4.3 98.0 1.0
CB K:PHE129 4.5 97.3 1.0
CA K:MET125 4.6 89.7 1.0
CB K:ALA126 4.6 89.7 1.0
C08 K:ZL5403 4.6 98.0 1.0
CD1 K:LEU275 4.6 92.0 1.0
HB3 K:MET125 4.8 89.7 1.0
HE3 K:MET295 4.9 98.2 1.0
HE1 K:PHE296 4.9 96.4 1.0
C17 K:ZL5403 5.0 98.0 1.0
HZ K:PHE296 5.0 96.4 1.0

Fluorine binding site 3 out of 8 in 7rje

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Fluorine binding site 3 out of 8 in the Complex III2 From Candida Albicans, Inz-5 Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Complex III2 From Candida Albicans, Inz-5 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F403

b:98.0
occ:1.00
F14 K:ZL5403 0.0 98.0 1.0
C11 K:ZL5403 1.4 98.0 1.0
F13 K:ZL5403 2.2 98.0 1.0
F12 K:ZL5403 2.2 98.0 1.0
C10 K:ZL5403 2.4 98.0 1.0
H151 K:ZL5403 2.7 98.0 1.0
C15 K:ZL5403 2.9 98.0 1.0
C09 K:ZL5403 3.6 98.0 1.0
HZ K:PHE296 3.6 96.4 1.0
HG21 K:ILE147 3.7 104.0 1.0
H091 K:ZL5403 3.8 98.0 1.0
HE1 K:MET295 3.9 98.2 1.0
HE3 K:MET295 3.9 98.2 1.0
HD13 K:ILE147 4.1 104.0 1.0
HG22 K:ILE147 4.2 104.0 1.0
CZ K:PHE296 4.3 96.4 1.0
C16 K:ZL5403 4.3 98.0 1.0
CE K:MET295 4.4 98.2 1.0
CG2 K:ILE147 4.4 104.0 1.0
HE1 K:PHE296 4.6 96.4 1.0
C08 K:ZL5403 4.7 98.0 1.0
HG3 K:MET125 4.7 89.7 1.0
HA K:ALA126 4.7 89.7 1.0
HG13 K:ILE147 4.7 104.0 1.0
HB3 K:ALA126 4.8 89.7 1.0
CE1 K:PHE296 4.8 96.4 1.0
CD1 K:ILE147 4.9 104.0 1.0
HB3 K:PHE129 4.9 97.3 1.0
HD11 K:ILE147 4.9 104.0 1.0
HG23 K:ILE147 4.9 104.0 1.0
HB2 K:PHE129 4.9 97.3 1.0
C17 K:ZL5403 5.0 98.0 1.0

Fluorine binding site 4 out of 8 in 7rje

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Fluorine binding site 4 out of 8 in the Complex III2 From Candida Albicans, Inz-5 Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Complex III2 From Candida Albicans, Inz-5 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F403

b:98.0
occ:1.00
F18 K:ZL5403 0.0 98.0 1.0
C17 K:ZL5403 1.4 98.0 1.0
C16 K:ZL5403 2.3 98.0 1.0
H051 K:ZL5403 2.3 98.0 1.0
HB2 K:TYR279 2.4 97.0 1.0
C08 K:ZL5403 2.5 98.0 1.0
H161 K:ZL5403 2.5 98.0 1.0
HD1 K:TYR279 2.7 97.0 1.0
C05 K:ZL5403 2.9 98.0 1.0
C07 K:ZL5403 3.0 98.0 1.0
HG3 K:PRO271 3.0 96.7 1.0
C06 K:ZL5403 3.0 98.0 1.0
CB K:TYR279 3.3 97.0 1.0
HB3 K:LEU275 3.3 92.0 1.0
CD1 K:TYR279 3.3 97.0 1.0
HB3 K:PRO271 3.5 96.7 1.0
HD11 K:ILE147 3.6 104.0 1.0
CG K:TYR279 3.6 97.0 1.0
HA K:TYR279 3.7 97.0 1.0
C09 K:ZL5403 3.7 98.0 1.0
C15 K:ZL5403 3.7 98.0 1.0
CG K:PRO271 3.9 96.7 1.0
CA K:TYR279 3.9 97.0 1.0
HD11 K:LEU275 4.0 92.0 1.0
H K:TYR279 4.0 97.0 1.0
HB3 K:TYR279 4.0 97.0 1.0
CB K:PRO271 4.1 96.7 1.0
C04 K:ZL5403 4.1 98.0 1.0
N19 K:ZL5403 4.1 98.0 1.0
HD3 K:PRO271 4.2 96.7 1.0
N K:TYR279 4.2 97.0 1.0
C10 K:ZL5403 4.2 98.0 1.0
CB K:LEU275 4.2 92.0 1.0
O K:LEU275 4.3 92.0 1.0
HB2 K:PRO271 4.3 96.7 1.0
C28 K:ZL5403 4.4 98.0 1.0
HD21 K:LEU282 4.4 99.1 1.0
CE1 K:TYR279 4.4 97.0 1.0
HG K:LEU275 4.4 92.0 1.0
H041 K:ZL5403 4.5 98.0 1.0
HB2 K:LEU275 4.5 92.0 1.0
CD1 K:ILE147 4.5 104.0 1.0
HG2 K:PRO271 4.6 96.7 1.0
H151 K:ZL5403 4.6 98.0 1.0
H091 K:ZL5403 4.6 98.0 1.0
CD K:PRO271 4.6 96.7 1.0
HE1 K:TYR279 4.6 97.0 1.0
HB2 K:PHE278 4.7 92.4 1.0
CG K:LEU275 4.7 92.0 1.0
N20 K:ZL5403 4.7 98.0 1.0
CD1 K:LEU275 4.8 92.0 1.0
SD K:MET295 4.8 98.2 1.0
HD13 K:ILE147 4.8 104.0 1.0
HD12 K:ILE147 4.8 104.0 1.0
CD2 K:TYR279 4.9 97.0 1.0
HD23 K:LEU282 5.0 99.1 1.0

Fluorine binding site 5 out of 8 in 7rje

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Fluorine binding site 5 out of 8 in the Complex III2 From Candida Albicans, Inz-5 Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Complex III2 From Candida Albicans, Inz-5 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
T:F403

b:96.6
occ:1.00
F12 T:ZL5403 0.0 96.6 1.0
C11 T:ZL5403 1.4 96.6 1.0
F13 T:ZL5403 2.2 96.6 1.0
F14 T:ZL5403 2.2 96.6 1.0
C10 T:ZL5403 2.4 96.6 1.0
H091 T:ZL5403 2.4 96.6 1.0
HB3 T:PHE129 2.6 95.8 1.0
C09 T:ZL5403 2.7 96.6 1.0
HB2 T:PHE129 2.8 95.8 1.0
CB T:PHE129 3.0 95.8 1.0
CG T:PHE129 3.1 95.8 1.0
CD2 T:PHE129 3.4 95.8 1.0
HD2 T:PHE129 3.4 95.8 1.0
C15 T:ZL5403 3.6 96.6 1.0
HA T:ALA126 3.6 89.7 1.0
HG21 T:ILE147 3.7 103.5 1.0
CD1 T:PHE129 3.8 95.8 1.0
H151 T:ZL5403 4.0 96.6 1.0
C08 T:ZL5403 4.0 96.6 1.0
HD1 T:PHE129 4.1 95.8 1.0
HG13 T:ILE147 4.1 103.5 1.0
O T:MET125 4.2 89.3 1.0
CE2 T:PHE129 4.2 95.8 1.0
HG3 T:MET125 4.5 89.3 1.0
H T:PHE129 4.5 95.8 1.0
CA T:PHE129 4.5 95.8 1.0
CA T:ALA126 4.5 89.7 1.0
CE1 T:PHE129 4.6 95.8 1.0
C T:MET125 4.7 89.3 1.0
CG2 T:ILE147 4.7 103.5 1.0
HE2 T:PHE129 4.7 95.8 1.0
CZ T:PHE129 4.7 95.8 1.0
HD13 T:ILE147 4.8 103.5 1.0
C16 T:ZL5403 4.8 96.6 1.0
HB3 T:ALA126 4.8 89.7 1.0
N T:ALA126 4.8 89.7 1.0
N19 T:ZL5403 4.9 96.6 1.0
N T:PHE129 5.0 95.8 1.0
HA T:PHE129 5.0 95.8 1.0
CG1 T:ILE147 5.0 103.5 1.0
C17 T:ZL5403 5.0 96.6 1.0
C07 T:ZL5403 5.0 96.6 1.0
HG22 T:ILE147 5.0 103.5 1.0

Fluorine binding site 6 out of 8 in 7rje

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Fluorine binding site 6 out of 8 in the Complex III2 From Candida Albicans, Inz-5 Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Complex III2 From Candida Albicans, Inz-5 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
T:F403

b:96.6
occ:1.00
F13 T:ZL5403 0.0 96.6 1.0
C11 T:ZL5403 1.4 96.6 1.0
F12 T:ZL5403 2.2 96.6 1.0
F14 T:ZL5403 2.2 96.6 1.0
C10 T:ZL5403 2.4 96.6 1.0
HG3 T:MET125 2.6 89.3 1.0
H151 T:ZL5403 2.8 96.6 1.0
C15 T:ZL5403 2.9 96.6 1.0
CG T:MET125 3.2 89.3 1.0
SD T:MET125 3.2 89.3 1.0
HB2 T:MET125 3.5 89.3 1.0
C09 T:ZL5403 3.5 96.6 1.0
HA T:ALA126 3.7 89.7 1.0
H091 T:ZL5403 3.8 96.6 1.0
CB T:MET125 3.8 89.3 1.0
HD12 T:LEU275 3.9 91.3 1.0
C T:MET125 3.9 89.3 1.0
O T:MET125 3.9 89.3 1.0
HB3 T:PHE129 4.0 95.8 1.0
N T:ALA126 4.0 89.7 1.0
HG2 T:MET125 4.1 89.3 1.0
HB2 T:PHE129 4.1 95.8 1.0
HB3 T:ALA126 4.2 89.7 1.0
CA T:ALA126 4.3 89.7 1.0
HD11 T:LEU275 4.3 91.3 1.0
C16 T:ZL5403 4.3 96.6 1.0
H T:ALA126 4.3 89.7 1.0
CA T:MET125 4.5 89.3 1.0
CB T:PHE129 4.5 95.8 1.0
HE1 T:MET295 4.5 95.9 1.0
CD1 T:LEU275 4.6 91.3 1.0
C08 T:ZL5403 4.6 96.6 1.0
HB3 T:MET125 4.7 89.3 1.0
CB T:ALA126 4.8 89.7 1.0
CE T:MET125 4.8 89.3 1.0
HE1 T:MET125 4.8 89.3 1.0
HE3 T:MET295 4.9 95.9 1.0
HE1 T:PHE296 4.9 94.7 1.0
HA T:MET125 5.0 89.3 1.0
C17 T:ZL5403 5.0 96.6 1.0
HZ T:PHE296 5.0 94.7 1.0

Fluorine binding site 7 out of 8 in 7rje

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Fluorine binding site 7 out of 8 in the Complex III2 From Candida Albicans, Inz-5 Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Complex III2 From Candida Albicans, Inz-5 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
T:F403

b:96.6
occ:1.00
F14 T:ZL5403 0.0 96.6 1.0
C11 T:ZL5403 1.4 96.6 1.0
F13 T:ZL5403 2.2 96.6 1.0
F12 T:ZL5403 2.2 96.6 1.0
C10 T:ZL5403 2.4 96.6 1.0
H151 T:ZL5403 2.7 96.6 1.0
C15 T:ZL5403 2.9 96.6 1.0
HE1 T:MET295 3.4 95.9 1.0
C09 T:ZL5403 3.6 96.6 1.0
HZ T:PHE296 3.6 94.7 1.0
HG21 T:ILE147 3.6 103.5 1.0
H091 T:ZL5403 3.8 96.6 1.0
HD13 T:ILE147 4.1 103.5 1.0
HG22 T:ILE147 4.2 103.5 1.0
CZ T:PHE296 4.3 94.7 1.0
CE T:MET295 4.3 95.9 1.0
C16 T:ZL5403 4.3 96.6 1.0
CG2 T:ILE147 4.4 103.5 1.0
HE3 T:MET295 4.4 95.9 1.0
HG3 T:MET125 4.5 89.3 1.0
HE1 T:PHE296 4.6 94.7 1.0
HG13 T:ILE147 4.6 103.5 1.0
C08 T:ZL5403 4.7 96.6 1.0
HA T:ALA126 4.7 89.7 1.0
CE1 T:PHE296 4.8 94.7 1.0
HB3 T:PHE129 4.8 95.8 1.0
HB3 T:ALA126 4.9 89.7 1.0
CD1 T:ILE147 4.9 103.5 1.0
HD11 T:ILE147 4.9 103.5 1.0
HG23 T:ILE147 4.9 103.5 1.0
SD T:MET125 4.9 89.3 1.0
HB2 T:PHE129 5.0 95.8 1.0
HE2 T:MET295 5.0 95.9 1.0
C17 T:ZL5403 5.0 96.6 1.0

Fluorine binding site 8 out of 8 in 7rje

Go back to Fluorine Binding Sites List in 7rje
Fluorine binding site 8 out of 8 in the Complex III2 From Candida Albicans, Inz-5 Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Complex III2 From Candida Albicans, Inz-5 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
T:F403

b:96.6
occ:1.00
F18 T:ZL5403 0.0 96.6 1.0
C17 T:ZL5403 1.4 96.6 1.0
C16 T:ZL5403 2.3 96.6 1.0
H051 T:ZL5403 2.3 96.6 1.0
HB2 T:TYR279 2.4 94.4 1.0
C08 T:ZL5403 2.5 96.6 1.0
H161 T:ZL5403 2.5 96.6 1.0
HD1 T:TYR279 2.6 94.4 1.0
C05 T:ZL5403 2.9 96.6 1.0
C07 T:ZL5403 3.0 96.6 1.0
C06 T:ZL5403 3.0 96.6 1.0
HG3 T:PRO271 3.1 94.3 1.0
CD1 T:TYR279 3.2 94.4 1.0
CB T:TYR279 3.3 94.4 1.0
HB3 T:LEU275 3.4 91.3 1.0
HB3 T:PRO271 3.5 94.3 1.0
HD11 T:ILE147 3.5 103.5 1.0
CG T:TYR279 3.6 94.4 1.0
HA T:TYR279 3.7 94.4 1.0
C09 T:ZL5403 3.7 96.6 1.0
C15 T:ZL5403 3.7 96.6 1.0
CG T:PRO271 3.9 94.3 1.0
CA T:TYR279 3.9 94.4 1.0
HB3 T:TYR279 4.0 94.4 1.0
HD11 T:LEU275 4.0 91.3 1.0
H T:TYR279 4.0 94.4 1.0
C04 T:ZL5403 4.0 96.6 1.0
CB T:PRO271 4.1 94.3 1.0
N19 T:ZL5403 4.1 96.6 1.0
HD3 T:PRO271 4.1 94.3 1.0
C10 T:ZL5403 4.2 96.6 1.0
CE1 T:TYR279 4.2 94.4 1.0
N T:TYR279 4.3 94.4 1.0
CB T:LEU275 4.3 91.3 1.0
O T:LEU275 4.4 91.3 1.0
C28 T:ZL5403 4.4 96.6 1.0
HB2 T:PRO271 4.4 94.3 1.0
HE1 T:TYR279 4.4 94.4 1.0
HG T:LEU275 4.5 91.3 1.0
H041 T:ZL5403 4.5 96.6 1.0
CD1 T:ILE147 4.5 103.5 1.0
HD13 T:LEU282 4.5 96.3 1.0
H151 T:ZL5403 4.6 96.6 1.0
H091 T:ZL5403 4.6 96.6 1.0
CD T:PRO271 4.6 94.3 1.0
HB2 T:LEU275 4.6 91.3 1.0
HG2 T:PRO271 4.6 94.3 1.0
N20 T:ZL5403 4.8 96.6 1.0
HD12 T:ILE147 4.8 103.5 1.0
CG T:LEU275 4.8 91.3 1.0
HD13 T:ILE147 4.8 103.5 1.0
CD2 T:TYR279 4.8 94.4 1.0
CD1 T:LEU275 4.8 91.3 1.0
HB2 T:PHE278 4.9 90.1 1.0

Reference:

J.M.Di Trani, L.Zhongle, L.Whitesell, P.Brzezinski, L.E.Cowen, J.L.Rubinstein. Rieske Head Domain Dynamics and Indazole-Derivative Inhibition of Candida Albicans Complex III To Be Published.
Page generated: Fri Aug 2 12:08:35 2024

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