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Fluorine in PDB 3ae1: Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-Phenyl-2-(Trifluoromethyl)-Benzamide

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

All present enzymatic activity of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-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-Phenyl-2-(Trifluoromethyl)-Benzamide, PDB code: 3ae1 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) 47.62 / 3.14
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.465, 84.065, 294.622, 90.00, 90.00, 90.00
R / Rfree (%) 22 / 26.8

Other elements in 3ae1:

The structure of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-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-Phenyl-2-(Trifluoromethyl)-Benzamide (pdb code 3ae1). 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-Phenyl-2-(Trifluoromethyl)-Benzamide, PDB code: 3ae1:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 3ae1

Go back to Fluorine Binding Sites List in 3ae1
Fluorine binding site 1 out of 3 in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-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-Phenyl-2-(Trifluoromethyl)-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1201

b:0.3
occ:1.00
 F1 C:TFZ1201 0.0 0.3 1.0
C1 C:TFZ1201 1.3 0.9 1.0
F3 C:TFZ1201 2.1 0.6 1.0
F2 C:TFZ1201 2.2 1.0 1.0
C2 C:TFZ1201 2.3 0.9 1.0
C3 C:TFZ1201 3.2 0.9 1.0
C7 C:TFZ1201 3.3 0.9 1.0
CG2 C:ILE43 3.3 75.9 1.0
C8 C:TFZ1201 3.5 0.9 1.0
O C:TFZ1201 3.6 0.9 1.0
OH D:TYR91 4.2 84.1 1.0
N C:TFZ1201 4.3 0.9 1.0
C4 C:TFZ1201 4.4 0.8 1.0
C6 C:TFZ1201 4.5 0.8 1.0
CB C:ILE43 4.6 76.3 1.0
NE1 B:TRP173 4.7 76.5 1.0
CG1 C:ILE43 4.9 76.3 1.0
C5 C:TFZ1201 4.9 0.8 1.0

Fluorine binding site 2 out of 3 in 3ae1

Go back to Fluorine Binding Sites List in 3ae1
Fluorine binding site 2 out of 3 in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-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-Phenyl-2-(Trifluoromethyl)-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1201

b:1.0
occ:1.00
 F2 C:TFZ1201 0.0 1.0 1.0
C1 C:TFZ1201 1.3 0.9 1.0
F3 C:TFZ1201 2.2 0.6 1.0
F1 C:TFZ1201 2.2 0.3 1.0
C2 C:TFZ1201 2.3 0.9 1.0
O C:TFZ1201 2.6 0.9 1.0
NE1 B:TRP173 2.9 76.5 1.0
C3 C:TFZ1201 3.0 0.9 1.0
C8 C:TFZ1201 3.1 0.9 1.0
C7 C:TFZ1201 3.4 0.9 1.0
CB B:PRO169 3.5 70.5 1.0
OH D:TYR91 3.8 84.1 1.0
CE2 B:TRP173 3.8 78.6 1.0
CD1 B:TRP173 4.0 75.0 1.0
CZ2 B:TRP173 4.0 81.0 1.0
C4 C:TFZ1201 4.3 0.8 1.0
N C:TFZ1201 4.3 0.9 1.0
CG B:PRO169 4.4 70.5 1.0
C6 C:TFZ1201 4.6 0.8 1.0
CA B:PRO169 4.8 69.5 1.0
CZ D:TYR91 4.9 82.8 1.0
C5 C:TFZ1201 5.0 0.8 1.0

Fluorine binding site 3 out of 3 in 3ae1

Go back to Fluorine Binding Sites List in 3ae1
Fluorine binding site 3 out of 3 in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-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-Phenyl-2-(Trifluoromethyl)-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1201

b:0.6
occ:1.00
 F3 C:TFZ1201 0.0 0.6 1.0
C1 C:TFZ1201 1.3 0.9 1.0
F1 C:TFZ1201 2.1 0.3 1.0
F2 C:TFZ1201 2.2 1.0 1.0
C2 C:TFZ1201 2.3 0.9 1.0
C7 C:TFZ1201 2.6 0.9 1.0
C3 C:TFZ1201 3.7 0.9 1.0
CZ2 B:TRP173 3.9 81.0 1.0
C6 C:TFZ1201 4.0 0.8 1.0
CG2 C:ILE30 4.1 80.4 1.0
NE1 B:TRP173 4.2 76.5 1.0
CB B:PRO169 4.3 70.5 1.0
CE2 B:TRP173 4.4 78.6 1.0
O C:TFZ1201 4.5 0.9 1.0
C8 C:TFZ1201 4.5 0.9 1.0
CH2 C:TRP35 4.6 80.3 1.0
CG B:PRO169 4.7 70.5 1.0
C4 C:TFZ1201 4.8 0.8 1.0
CZ3 B:TRP172 4.8 76.9 1.0
C5 C:TFZ1201 4.9 0.8 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-Phenyl-2-(Trifluoromethyl)-Benzamide To Be Published.
Page generated: Wed Jul 31 17:05:43 2024

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