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Fluorine in PDB 3ae8: Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Isopropoxy-Phenyl)-2-Trifluoromethylbenzamide

Enzymatic activity of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Isopropoxy-Phenyl)-2-Trifluoromethylbenzamide

All present enzymatic activity of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Isopropoxy-Phenyl)-2-Trifluoromethylbenzamide:
1.3.5.1;

Protein crystallography data

The structure of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Isopropoxy-Phenyl)-2-Trifluoromethylbenzamide, PDB code: 3ae8 was solved by S.Harada, T.Sasaki, M.Shindo, Y.Kido, D.K.Inaoka, J.Omori, A.Osanai, K.Sakamoto, J.Mao, S.Matsuoka, M.Inoue, T.Honma, A.Tanaka, K.Kita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.31 / 3.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.655, 83.994, 295.317, 90.00, 90.00, 90.00
R / Rfree (%) 23.9 / 28.8

Other elements in 3ae8:

The structure of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Isopropoxy-Phenyl)-2-Trifluoromethylbenzamide also contains other interesting chemical elements:

Iron (Fe) 10 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Isopropoxy-Phenyl)-2-Trifluoromethylbenzamide (pdb code 3ae8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Isopropoxy-Phenyl)-2-Trifluoromethylbenzamide, PDB code: 3ae8:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 3ae8

Go back to Fluorine Binding Sites List in 3ae8
Fluorine binding site 1 out of 3 in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Isopropoxy-Phenyl)-2-Trifluoromethylbenzamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Isopropoxy-Phenyl)-2-Trifluoromethylbenzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1201

b:0.4
occ:1.00
 F1 B:FTN1201 0.0 0.4 1.0
C1 B:FTN1201 1.3 0.5 1.0
F3 B:FTN1201 2.1 0.4 1.0
F2 B:FTN1201 2.2 0.4 1.0
C2 B:FTN1201 2.3 0.6 1.0
O1 B:FTN1201 2.8 1.0 1.0
C3 B:FTN1201 3.0 0.8 1.0
C8 B:FTN1201 3.0 0.9 1.0
OG B:SER170 3.4 72.1 1.0
C7 B:FTN1201 3.4 0.6 1.0
N B:SER170 3.4 72.4 1.0
C B:PRO169 3.6 73.2 1.0
NE1 B:TRP173 3.6 76.4 1.0
CD1 B:TRP173 3.7 75.8 1.0
CA B:SER170 3.7 72.2 1.0
CB B:PRO169 3.7 74.6 1.0
CD1 B:ILE218 3.7 74.0 1.0
O B:PRO169 3.8 73.9 1.0
N B:FTN1201 4.1 0.0 1.0
CB B:SER170 4.1 71.6 1.0
CA B:PRO169 4.3 73.7 1.0
C4 B:FTN1201 4.3 0.7 1.0
C6 B:FTN1201 4.6 0.6 1.0
OD2 D:ASP90 4.7 81.4 1.0
CG B:PRO169 4.8 74.7 1.0
C9 B:FTN1201 4.9 0.1 1.0
CE2 B:TRP173 4.9 77.3 1.0
C5 B:FTN1201 4.9 0.6 1.0
CG B:TRP173 5.0 76.2 1.0
OH D:TYR91 5.0 77.8 1.0

Fluorine binding site 2 out of 3 in 3ae8

Go back to Fluorine Binding Sites List in 3ae8
Fluorine binding site 2 out of 3 in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Isopropoxy-Phenyl)-2-Trifluoromethylbenzamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Isopropoxy-Phenyl)-2-Trifluoromethylbenzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1201

b:0.4
occ:1.00
 F2 B:FTN1201 0.0 0.4 1.0
C1 B:FTN1201 1.3 0.5 1.0
F3 B:FTN1201 2.1 0.4 1.0
F1 B:FTN1201 2.2 0.4 1.0
C2 B:FTN1201 2.3 0.6 1.0
O1 B:FTN1201 2.6 1.0 1.0
C3 B:FTN1201 3.1 0.8 1.0
C8 B:FTN1201 3.2 0.9 1.0
OH D:TYR91 3.3 77.8 1.0
C7 B:FTN1201 3.3 0.6 1.0
NH1 C:ARG46 3.4 82.4 1.0
OD2 D:ASP90 3.5 81.4 1.0
CZ D:TYR91 3.6 80.9 1.0
CD1 B:TRP173 3.6 75.8 1.0
CE2 D:TYR91 3.7 84.3 1.0
NE1 B:TRP173 3.8 76.4 1.0
CB D:ASP90 4.1 86.0 1.0
CG D:ASP90 4.2 84.1 1.0
C4 B:FTN1201 4.3 0.7 1.0
CZ C:ARG46 4.4 80.8 1.0
CE1 D:TYR91 4.5 80.8 1.0
C6 B:FTN1201 4.5 0.6 1.0
N B:FTN1201 4.5 0.0 1.0
NH2 C:ARG46 4.6 79.5 1.0
CD2 D:TYR91 4.6 87.8 1.0
OG B:SER170 4.6 72.1 1.0
CG B:TRP173 4.9 76.2 1.0
C5 B:FTN1201 4.9 0.6 1.0

Fluorine binding site 3 out of 3 in 3ae8

Go back to Fluorine Binding Sites List in 3ae8
Fluorine binding site 3 out of 3 in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Isopropoxy-Phenyl)-2-Trifluoromethylbenzamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Isopropoxy-Phenyl)-2-Trifluoromethylbenzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1201

b:0.4
occ:1.00
 F3 B:FTN1201 0.0 0.4 1.0
C1 B:FTN1201 1.3 0.5 1.0
F1 B:FTN1201 2.1 0.4 1.0
F2 B:FTN1201 2.1 0.4 1.0
C2 B:FTN1201 2.3 0.6 1.0
C7 B:FTN1201 2.6 0.6 1.0
OD2 D:ASP90 2.8 81.4 1.0
OG B:SER170 2.8 72.1 1.0
CD2 B:HIS216 3.3 73.7 1.0
C3 B:FTN1201 3.7 0.8 1.0
CG D:ASP90 3.8 84.1 1.0
NE2 B:HIS216 3.9 74.2 1.0
CB B:SER170 4.0 71.6 1.0
C6 B:FTN1201 4.0 0.6 1.0
NH1 C:ARG46 4.1 82.4 1.0
CA B:SER170 4.2 72.2 1.0
O1 B:FTN1201 4.2 1.0 1.0
NH2 C:ARG46 4.3 79.5 1.0
CD1 B:ILE218 4.4 74.0 1.0
CG B:HIS216 4.4 73.6 1.0
C8 B:FTN1201 4.4 0.9 1.0
CB D:ASP90 4.4 86.0 1.0
N B:SER170 4.6 72.4 1.0
CZ C:ARG46 4.6 80.8 1.0
OD1 D:ASP90 4.6 85.3 1.0
O B:ARG214 4.6 71.7 1.0
C4 B:FTN1201 4.8 0.7 1.0
CD1 B:TRP173 4.8 75.8 1.0
C5 B:FTN1201 4.9 0.6 1.0
CB B:HIS216 5.0 73.3 1.0

Reference:

S.Harada, T.Sasaki, M.Shindo, Y.Kido, D.K.Inaoka, J.Omori, A.Osanai, K.Sakamoto, J.Mao, S.Matsuoka, M.Inoue, T.Honma, A.Tanaka, K.Kita. Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Isopropoxy-Phenyl) -2-Trifluoromethylbenzamide To Be Published.
Page generated: Wed Jul 31 17:05:55 2024

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