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Fluorine in PDB 5jyo: Allosteric Inhibition of Kidney Isoform of Glutaminase

Enzymatic activity of Allosteric Inhibition of Kidney Isoform of Glutaminase

All present enzymatic activity of Allosteric Inhibition of Kidney Isoform of Glutaminase:
3.5.1.2;

Protein crystallography data

The structure of Allosteric Inhibition of Kidney Isoform of Glutaminase, PDB code: 5jyo was solved by J.Sivaraman, S.Jayaraman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.36 / 2.10
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 126.404, 126.629, 126.269, 112.88, 102.81, 112.74
R / Rfree (%) 19 / 21.3

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Allosteric Inhibition of Kidney Isoform of Glutaminase (pdb code 5jyo). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Allosteric Inhibition of Kidney Isoform of Glutaminase, PDB code: 5jyo:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 5jyo

Go back to Fluorine Binding Sites List in 5jyo
Fluorine binding site 1 out of 12 in the Allosteric Inhibition of Kidney Isoform of Glutaminase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Allosteric Inhibition of Kidney Isoform of Glutaminase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F601

b:71.5
occ:0.84
 F35 D:63J601 0.0 71.5 0.8
C34 D:63J601 1.3 70.9 0.0
F37 D:63J601 2.2 73.1 0.7
F36 D:63J601 2.2 70.9 0.8
O33 D:63J601 2.2 71.2 0.2
C31 D:63J601 2.7 74.8 1.0
C30 D:63J601 3.1 73.5 1.0
C32 D:63J601 3.6 72.1 1.0
CD1 D:LEU321 3.9 54.0 1.0
C29 D:63J601 4.2 76.1 1.0
C27 D:63J601 4.6 67.2 1.0
CD2 D:LEU321 4.8 51.1 1.0
C28 D:63J601 4.8 70.8 1.0
CG D:LEU321 4.9 52.9 1.0

Fluorine binding site 2 out of 12 in 5jyo

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Fluorine binding site 2 out of 12 in the Allosteric Inhibition of Kidney Isoform of Glutaminase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Allosteric Inhibition of Kidney Isoform of Glutaminase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F601

b:70.9
occ:0.84
 F36 D:63J601 0.0 70.9 0.8
C34 D:63J601 1.3 70.9 0.0
F37 D:63J601 2.2 73.1 0.7
F35 D:63J601 2.2 71.5 0.8
O33 D:63J601 2.3 71.2 0.2
C31 D:63J601 2.8 74.8 1.0
C32 D:63J601 2.9 72.1 1.0
C30 D:63J601 3.9 73.5 1.0
O38 D:63J601 3.9 60.8 1.0
C27 D:63J601 4.1 67.2 1.0
CD1 D:LEU321 4.1 54.0 1.0
CD2 E:LEU321 4.3 53.0 1.0
C25 D:63J601 4.4 58.3 1.0
CB E:LYS320 4.5 60.4 1.0
CD2 D:LEU321 4.7 51.1 1.0
C22 D:63J601 4.7 45.4 1.0
C29 D:63J601 4.8 76.1 1.0
CG E:LEU321 4.9 51.3 1.0
C26 D:63J601 4.9 57.7 1.0
C28 D:63J601 4.9 70.8 1.0

Fluorine binding site 3 out of 12 in 5jyo

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Fluorine binding site 3 out of 12 in the Allosteric Inhibition of Kidney Isoform of Glutaminase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Allosteric Inhibition of Kidney Isoform of Glutaminase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F601

b:73.1
occ:0.66
 F37 D:63J601 0.0 73.1 0.7
C34 D:63J601 1.3 70.9 0.0
F35 D:63J601 2.2 71.5 0.8
F36 D:63J601 2.2 70.9 0.8
O33 D:63J601 2.2 71.2 0.2
C31 D:63J601 3.5 74.8 1.0
C32 D:63J601 4.3 72.1 1.0
C30 D:63J601 4.4 73.5 1.0

Fluorine binding site 4 out of 12 in 5jyo

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Fluorine binding site 4 out of 12 in the Allosteric Inhibition of Kidney Isoform of Glutaminase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Allosteric Inhibition of Kidney Isoform of Glutaminase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F601

b:68.8
occ:0.74
 F35 C:63J601 0.0 68.8 0.7
C34 C:63J601 1.3 67.6 0.0
F37 C:63J601 2.2 70.1 0.6
F36 C:63J601 2.2 66.0 0.7
O33 C:63J601 2.2 69.7 0.3
C31 C:63J601 2.8 73.8 1.0
C32 C:63J601 3.4 72.1 1.0
C30 C:63J601 3.5 73.9 1.0
CD1 B:LEU321 3.6 50.9 1.0
C27 C:63J601 4.5 67.3 1.0
C29 C:63J601 4.6 72.7 1.0
CD2 B:LEU321 4.6 53.4 1.0
CG B:LEU321 4.6 53.5 1.0
C28 C:63J601 5.0 69.6 1.0

Fluorine binding site 5 out of 12 in 5jyo

Go back to Fluorine Binding Sites List in 5jyo
Fluorine binding site 5 out of 12 in the Allosteric Inhibition of Kidney Isoform of Glutaminase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Allosteric Inhibition of Kidney Isoform of Glutaminase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F601

b:66.0
occ:0.67
 F36 C:63J601 0.0 66.0 0.7
C34 C:63J601 1.3 67.6 0.0
F37 C:63J601 2.2 70.1 0.6
F35 C:63J601 2.2 68.8 0.7
O33 C:63J601 2.3 69.7 0.3
C32 C:63J601 2.9 72.1 1.0
C31 C:63J601 2.9 73.8 1.0
CD1 B:LEU321 3.8 50.9 1.0
O38 C:63J601 4.0 57.5 1.0
CD2 C:LEU321 4.0 53.9 1.0
CD2 B:LEU321 4.1 53.4 1.0
C27 C:63J601 4.2 67.3 1.0
C30 C:63J601 4.2 73.9 1.0
C25 C:63J601 4.4 57.4 1.0
C22 C:63J601 4.5 45.2 1.0
CG C:LEU321 4.6 52.3 1.0
CB C:LYS320 4.6 58.0 1.0
CG B:LEU321 4.6 53.5 1.0
CD C:LYS320 4.7 66.3 1.0
CG C:LYS320 4.9 63.8 1.0
N24 C:63J601 4.9 48.1 1.0
C26 C:63J601 4.9 55.7 1.0

Fluorine binding site 6 out of 12 in 5jyo

Go back to Fluorine Binding Sites List in 5jyo
Fluorine binding site 6 out of 12 in the Allosteric Inhibition of Kidney Isoform of Glutaminase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Allosteric Inhibition of Kidney Isoform of Glutaminase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F601

b:70.1
occ:0.63
 F37 C:63J601 0.0 70.1 0.6
C34 C:63J601 1.3 67.6 0.0
F36 C:63J601 2.2 66.0 0.7
F35 C:63J601 2.2 68.8 0.7
O33 C:63J601 2.2 69.7 0.3
C31 C:63J601 3.6 73.8 1.0
C32 C:63J601 4.3 72.1 1.0
C30 C:63J601 4.5 73.9 1.0
O C:LEU316 4.6 73.6 1.0
CG C:LEU321 4.7 52.3 1.0
CD2 C:LEU321 4.8 53.9 1.0
CD1 C:LEU321 4.9 53.9 1.0

Fluorine binding site 7 out of 12 in 5jyo

Go back to Fluorine Binding Sites List in 5jyo
Fluorine binding site 7 out of 12 in the Allosteric Inhibition of Kidney Isoform of Glutaminase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Allosteric Inhibition of Kidney Isoform of Glutaminase within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F601

b:70.2
occ:0.52
 F35 F:63J601 0.0 70.2 0.5
C34 F:63J601 1.3 73.3 1.0
F37 F:63J601 2.2 70.8 0.2
F36 F:63J601 2.2 68.9 0.6
O33 F:63J601 2.3 71.0 0.3
C31 F:63J601 3.5 73.1 1.0
C32 F:63J601 4.1 70.9 1.0
C30 F:63J601 4.5 76.5 1.0
CD2 F:LEU321 5.0 54.4 1.0

Fluorine binding site 8 out of 12 in 5jyo

Go back to Fluorine Binding Sites List in 5jyo
Fluorine binding site 8 out of 12 in the Allosteric Inhibition of Kidney Isoform of Glutaminase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Allosteric Inhibition of Kidney Isoform of Glutaminase within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F601

b:68.9
occ:0.56
 F36 F:63J601 0.0 68.9 0.6
C34 F:63J601 1.3 73.3 1.0
F37 F:63J601 2.2 70.8 0.2
F35 F:63J601 2.2 70.2 0.5
O33 F:63J601 2.3 71.0 0.3
C31 F:63J601 2.7 73.1 1.0
C32 F:63J601 2.9 70.9 1.0
C30 F:63J601 3.6 76.5 1.0
C27 F:63J601 4.0 68.8 1.0
O38 F:63J601 4.0 61.1 1.0
C25 F:63J601 4.5 58.5 1.0
C29 F:63J601 4.6 76.1 1.0
CD2 F:LEU321 4.6 54.4 1.0
C28 F:63J601 4.7 72.4 1.0
CG F:LYS320 4.9 64.6 1.0
C26 F:63J601 4.9 58.8 1.0
C22 F:63J601 5.0 43.9 1.0

Fluorine binding site 9 out of 12 in 5jyo

Go back to Fluorine Binding Sites List in 5jyo
Fluorine binding site 9 out of 12 in the Allosteric Inhibition of Kidney Isoform of Glutaminase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Allosteric Inhibition of Kidney Isoform of Glutaminase within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F601

b:70.8
occ:0.22
 F37 F:63J601 0.0 70.8 0.2
C34 F:63J601 1.3 73.3 1.0
F35 F:63J601 2.2 70.2 0.5
F36 F:63J601 2.2 68.9 0.6
O33 F:63J601 2.3 71.0 0.3
C31 F:63J601 3.0 73.1 1.0
C30 F:63J601 3.5 76.5 1.0
C32 F:63J601 4.1 70.9 1.0
C29 F:63J601 4.7 76.1 1.0
O33 F:63J602 4.8 73.4 0.4

Fluorine binding site 10 out of 12 in 5jyo

Go back to Fluorine Binding Sites List in 5jyo
Fluorine binding site 10 out of 12 in the Allosteric Inhibition of Kidney Isoform of Glutaminase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Allosteric Inhibition of Kidney Isoform of Glutaminase within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F602

b:74.4
occ:0.83
 F35 F:63J602 0.0 74.4 0.8
C34 F:63J602 1.3 73.8 0.0
F37 F:63J602 2.2 75.9 0.6
F36 F:63J602 2.2 74.5 0.8
O33 F:63J602 2.2 73.4 0.4
C31 F:63J602 3.2 76.9 1.0
C32 F:63J602 3.4 72.5 1.0
C30 F:63J602 4.5 79.6 1.0
C27 F:63J602 4.7 70.7 1.0

Reference:

S.Ramachandran, J.Sivaraman. Allosteric Inhibition of Kga Oncotarget 2016.
ISSN: ESSN 1949-2553
DOI: 10.18632/ONCOTARGET.10791
Page generated: Thu Aug 1 10:50:04 2024

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