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Fluorine in PDB 3aeb: Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Phenoxy-Phenyl)-2-Trifluoromethyl-Benzamide

Enzymatic activity of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Phenoxy-Phenyl)-2-Trifluoromethyl-Benzamide

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

Protein crystallography data

The structure of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Phenoxy-Phenyl)-2-Trifluoromethyl-Benzamide, PDB code: 3aeb 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) 42.43 / 3.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.708, 84.255, 294.707, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 25.7

Other elements in 3aeb:

The structure of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-(3-Phenoxy-Phenyl)-2-Trifluoromethyl-Benzamide 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-Phenoxy-Phenyl)-2-Trifluoromethyl-Benzamide (pdb code 3aeb). 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-Phenoxy-Phenyl)-2-Trifluoromethyl-Benzamide, PDB code: 3aeb:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 3aeb

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


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-Phenoxy-Phenyl)-2-Trifluoromethyl-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1201

b:68.0
occ:1.00
F1 C:F7A1201 0.0 68.0 1.0
C1 C:F7A1201 1.3 68.1 1.0
F3 C:F7A1201 2.1 67.5 1.0
F2 C:F7A1201 2.2 68.1 1.0
C2 C:F7A1201 2.3 68.6 1.0
C8 C:F7A1201 2.7 70.7 1.0
C3 C:F7A1201 2.8 69.4 1.0
NE1 B:TRP173 3.1 56.4 1.0
N1 C:F7A1201 3.1 71.9 1.0
O1 C:F7A1201 3.1 71.5 1.0
CD1 B:TRP173 3.1 55.7 1.0
C7 C:F7A1201 3.5 68.5 1.0
CB B:PRO169 3.7 52.5 1.0
C9 C:F7A1201 3.9 73.1 1.0
C B:PRO169 3.9 51.8 1.0
O B:PRO169 4.0 52.3 1.0
N B:SER170 4.1 51.3 1.0
C4 C:F7A1201 4.2 68.8 1.0
OH D:TYR91 4.2 65.0 1.0
CD1 B:ILE218 4.3 50.2 1.0
C14 C:F7A1201 4.4 73.4 1.0
CE2 B:TRP173 4.4 57.2 1.0
OG B:SER170 4.4 52.0 1.0
CA B:PRO169 4.5 52.0 1.0
CG B:TRP173 4.5 55.8 1.0
CA B:SER170 4.5 51.4 1.0
CE2 D:TYR91 4.7 65.9 1.0
C6 C:F7A1201 4.7 68.6 1.0
NH1 C:ARG46 4.8 62.1 1.0
C10 C:F7A1201 4.8 74.0 1.0
CG B:PRO169 4.9 52.4 1.0
CZ D:TYR91 4.9 64.8 1.0
C5 C:F7A1201 5.0 68.5 1.0

Fluorine binding site 2 out of 3 in 3aeb

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


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-Phenoxy-Phenyl)-2-Trifluoromethyl-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1201

b:68.1
occ:1.00
F2 C:F7A1201 0.0 68.1 1.0
C1 C:F7A1201 1.3 68.1 1.0
F3 C:F7A1201 2.2 67.5 1.0
F1 C:F7A1201 2.2 68.0 1.0
C2 C:F7A1201 2.3 68.6 1.0
OH D:TYR91 3.0 65.0 1.0
NH1 C:ARG46 3.1 62.1 1.0
C7 C:F7A1201 3.1 68.5 1.0
C3 C:F7A1201 3.2 69.4 1.0
CZ D:TYR91 3.4 64.8 1.0
O1 C:F7A1201 3.4 71.5 1.0
CE2 D:TYR91 3.4 65.9 1.0
OD2 D:ASP90 3.4 59.1 1.0
C8 C:F7A1201 3.5 70.7 1.0
CD1 B:TRP173 3.7 55.7 1.0
CB D:ASP90 4.0 61.1 1.0
CZ C:ARG46 4.0 60.8 1.0
NE1 B:TRP173 4.1 56.4 1.0
CG D:ASP90 4.1 60.2 1.0
NH2 C:ARG46 4.1 60.9 1.0
C6 C:F7A1201 4.4 68.6 1.0
CE1 D:TYR91 4.4 63.7 1.0
C4 C:F7A1201 4.4 68.8 1.0
CD2 D:TYR91 4.4 66.0 1.0
N1 C:F7A1201 4.5 71.9 1.0
C5 C:F7A1201 4.9 68.5 1.0
CG B:TRP173 4.9 55.8 1.0
OG B:SER170 5.0 52.0 1.0
CD2 B:HIS216 5.0 50.9 1.0

Fluorine binding site 3 out of 3 in 3aeb

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


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-Phenoxy-Phenyl)-2-Trifluoromethyl-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1201

b:67.5
occ:1.00
F3 C:F7A1201 0.0 67.5 1.0
C1 C:F7A1201 1.3 68.1 1.0
F1 C:F7A1201 2.1 68.0 1.0
F2 C:F7A1201 2.2 68.1 1.0
C2 C:F7A1201 2.3 68.6 1.0
C7 C:F7A1201 2.6 68.5 1.0
OG B:SER170 2.9 52.0 1.0
OD2 D:ASP90 3.6 59.1 1.0
C3 C:F7A1201 3.6 69.4 1.0
CD2 B:HIS216 3.6 50.9 1.0
CA B:SER170 3.9 51.4 1.0
CB B:SER170 4.0 51.0 1.0
C6 C:F7A1201 4.0 68.6 1.0
CD1 B:ILE218 4.1 50.2 1.0
N B:SER170 4.1 51.3 1.0
C8 C:F7A1201 4.3 70.7 1.0
CD1 B:TRP173 4.3 55.7 1.0
CG D:ASP90 4.3 60.2 1.0
NE2 B:HIS216 4.4 51.2 1.0
NH1 C:ARG46 4.5 62.1 1.0
C B:PRO169 4.6 51.8 1.0
CG B:HIS216 4.6 50.7 1.0
C4 C:F7A1201 4.7 68.8 1.0
O1 C:F7A1201 4.7 71.5 1.0
O B:PRO169 4.8 52.3 1.0
NH2 C:ARG46 4.8 60.9 1.0
NE1 B:TRP173 4.8 56.4 1.0
O B:ARG214 4.8 47.2 1.0
C5 C:F7A1201 4.9 68.5 1.0
N1 C:F7A1201 4.9 71.9 1.0
CB D:ASP90 4.9 61.1 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-Phenoxy-Phenyl)-2-Trifluoromethyl-Benzamide To Be Published.
Page generated: Mon Jul 14 15:12:22 2025

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