Fluorine in PDB 7lom: Ornithine Aminotransferase (Oat) Soaked with Its Inactivator - (1S, 3S)-3-Amino-4-(Difluoromethylene)Cyclohexene-1-Carboxylic Acid

Enzymatic activity of Ornithine Aminotransferase (Oat) Soaked with Its Inactivator - (1S, 3S)-3-Amino-4-(Difluoromethylene)Cyclohexene-1-Carboxylic Acid

All present enzymatic activity of Ornithine Aminotransferase (Oat) Soaked with Its Inactivator - (1S, 3S)-3-Amino-4-(Difluoromethylene)Cyclohexene-1-Carboxylic Acid:
2.6.1.13;

Protein crystallography data

The structure of Ornithine Aminotransferase (Oat) Soaked with Its Inactivator - (1S, 3S)-3-Amino-4-(Difluoromethylene)Cyclohexene-1-Carboxylic Acid, PDB code: 7lom was solved by A.Butrin, W.Zhu, D.Liu, R.Silverman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.11 / 2.10
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 115.61, 115.61, 186.57, 90, 90, 120
R / Rfree (%) 20 / 23.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Ornithine Aminotransferase (Oat) Soaked with Its Inactivator - (1S, 3S)-3-Amino-4-(Difluoromethylene)Cyclohexene-1-Carboxylic Acid (pdb code 7lom). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Ornithine Aminotransferase (Oat) Soaked with Its Inactivator - (1S, 3S)-3-Amino-4-(Difluoromethylene)Cyclohexene-1-Carboxylic Acid, PDB code: 7lom:

Fluorine binding site 1 out of 1 in 7lom

Go back to Fluorine Binding Sites List in 7lom
Fluorine binding site 1 out of 1 in the Ornithine Aminotransferase (Oat) Soaked with Its Inactivator - (1S, 3S)-3-Amino-4-(Difluoromethylene)Cyclohexene-1-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Ornithine Aminotransferase (Oat) Soaked with Its Inactivator - (1S, 3S)-3-Amino-4-(Difluoromethylene)Cyclohexene-1-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F502

b:53.9
occ:0.77
 F30 C:YCD502 0.0 53.9 0.8
C21 C:YCD502 1.4 52.9 1.0
C08 C:YCD502 2.4 55.2 1.0
OG1 C:THR501 2.4 52.0 0.5
CB C:THR501 2.6 50.1 1.0
O34 C:YCD502 2.7 37.1 1.0
N07 C:YCD502 2.9 50.8 1.0
C06 C:YCD502 2.9 54.0 1.0
CE C:LYS292 3.0 48.3 1.0
C09 C:YCD502 3.0 47.5 1.0
CG2 C:THR501 3.2 50.2 1.0
CD C:LYS292 3.4 46.2 1.0
P32 C:YCD502 3.5 36.6 1.0
O31 C:YCD502 3.5 38.9 1.0
C10 C:YCD502 3.7 58.5 1.0
O33 C:YCD502 3.7 37.6 1.0
CA C:THR501 3.9 49.1 1.0
C17 C:YCD502 4.2 45.1 1.0
N C:THR501 4.2 48.4 1.0
NZ C:LYS292 4.3 48.1 0.2
C01 C:YCD502 4.4 56.6 1.0
C18 C:YCD502 4.4 39.5 1.0
O C:HOH670 4.6 31.6 1.0
CG C:LYS292 4.7 45.9 1.0
C16 C:YCD502 4.7 42.2 1.0
O C:HOH619 4.8 38.8 1.0
C C:THR501 4.8 47.5 1.0
O35 C:YCD502 4.9 37.8 1.0
C11 C:YCD502 5.0 60.1 1.0

Reference:

W.Zhu, P.F.Doubleday, A.Butrin, P.M.Weerawarna, R.D.Melani, D.S.Catlin, T.A.Dwight, D.Liu, N.L.Kelleher, R.B.Silverman. Remarkable and Unexpected Mechanism For ( S )-3-Amino-4-(Difluoromethylenyl)Cyclohex-1-Ene-1-Carboxylic Acid As A Selective Inactivator of Human Ornithine Aminotransferase. J.Am.Chem.Soc. V. 143 8193 2021.
ISSN: ESSN 1520-5126
PubMed: 34014654
DOI: 10.1021/JACS.1C03572
Page generated: Fri Aug 2 08:59:59 2024

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