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Fluorine in PDB 6nyw: Structure of Spastin Aaa Domain N527C Mutant in Complex with 8- Fluoroquinazoline-Based Inhibitor

Enzymatic activity of Structure of Spastin Aaa Domain N527C Mutant in Complex with 8- Fluoroquinazoline-Based Inhibitor

All present enzymatic activity of Structure of Spastin Aaa Domain N527C Mutant in Complex with 8- Fluoroquinazoline-Based Inhibitor:
5.6.1.1;

Protein crystallography data

The structure of Structure of Spastin Aaa Domain N527C Mutant in Complex with 8- Fluoroquinazoline-Based Inhibitor, PDB code: 6nyw was solved by R.Pisa, T.Cupido, T.M.Kapoor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.35 / 2.19
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 78.543, 78.543, 96.476, 90.00, 90.00, 120.00
R / Rfree (%) 18.9 / 23.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Spastin Aaa Domain N527C Mutant in Complex with 8- Fluoroquinazoline-Based Inhibitor (pdb code 6nyw). 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 Structure of Spastin Aaa Domain N527C Mutant in Complex with 8- Fluoroquinazoline-Based Inhibitor, PDB code: 6nyw:

Fluorine binding site 1 out of 1 in 6nyw

Go back to Fluorine Binding Sites List in 6nyw
Fluorine binding site 1 out of 1 in the Structure of Spastin Aaa Domain N527C Mutant in Complex with 8- Fluoroquinazoline-Based Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Spastin Aaa Domain N527C Mutant in Complex with 8- Fluoroquinazoline-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F802

b:43.6
occ:1.00
 F26 B:L8M802 0.0 43.6 1.0
C25 B:L8M802 1.3 31.7 1.0
C24 B:L8M802 2.3 34.5 1.0
C20 B:L8M802 2.4 37.5 1.0
N19 B:L8M802 2.8 43.3 1.0
CA B:CYS527 3.0 37.1 1.0
N B:GLY688 3.2 37.8 1.0
CB B:CYS527 3.3 37.1 1.0
CD B:PRO651 3.4 32.4 1.0
O B:CYS527 3.4 41.2 1.0
C B:CYS527 3.5 42.0 1.0
CA B:GLY688 3.5 33.1 1.0
C23 B:L8M802 3.6 32.4 1.0
SG B:CYS527 3.6 46.3 1.0
C21 B:L8M802 3.6 38.6 1.0
O B:GLY526 3.8 39.0 1.0
CG B:PRO651 3.9 32.2 1.0
N B:PRO651 4.0 39.9 1.0
C22 B:L8M802 4.1 42.1 1.0
O B:SER649 4.1 43.6 1.0
C11 B:L8M802 4.1 35.5 1.0
CB B:PRO651 4.2 33.4 1.0
N B:CYS527 4.2 31.6 1.0
C B:SER687 4.3 41.6 1.0
NE2 B:GLN488 4.4 39.6 1.0
C B:GLY526 4.4 36.2 1.0
C B:LEU650 4.6 41.3 1.0
CA B:PRO651 4.6 41.5 1.0
N B:GLY528 4.6 35.9 1.0
CA B:LEU650 4.6 46.5 1.0
CA B:SER687 4.7 39.6 1.0
CD1 B:LEU659 4.8 37.0 1.0
C18 B:L8M802 4.8 42.5 1.0
C09 B:L8M802 4.8 49.8 1.0
C B:GLY688 4.9 36.9 1.0
N12 B:L8M802 5.0 36.2 1.0
N10 B:L8M802 5.0 34.7 1.0

Reference:

R.Pisa, T.Cupido, T.M.Kapoor. Designing Allele-Specific Inhibitors of Spastin, A Microtubule-Severing Aaa Protein. J. Am. Chem. Soc. V. 141 5602 2019.
ISSN: ESSN 1520-5126
PubMed: 30875216
DOI: 10.1021/JACS.8B13257
Page generated: Thu Aug 1 23:14:55 2024

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