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Fluorine in PDB 6p12: Structure of Spastin Aaa Domain (Wild-Type) in Complex with Diaminotriazole-Based Inhibitor

Enzymatic activity of Structure of Spastin Aaa Domain (Wild-Type) in Complex with Diaminotriazole-Based Inhibitor

All present enzymatic activity of Structure of Spastin Aaa Domain (Wild-Type) in Complex with Diaminotriazole-Based Inhibitor:
5.6.1.1;

Protein crystallography data

The structure of Structure of Spastin Aaa Domain (Wild-Type) in Complex with Diaminotriazole-Based Inhibitor, PDB code: 6p12 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) 40.34 / 1.94
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 80.672, 80.672, 96.529, 90.00, 90.00, 120.00
R / Rfree (%) 19.3 / 23

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Spastin Aaa Domain (Wild-Type) in Complex with Diaminotriazole-Based Inhibitor (pdb code 6p12). 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 (Wild-Type) in Complex with Diaminotriazole-Based Inhibitor, PDB code: 6p12:

Fluorine binding site 1 out of 1 in 6p12

Go back to Fluorine Binding Sites List in 6p12
Fluorine binding site 1 out of 1 in the Structure of Spastin Aaa Domain (Wild-Type) in Complex with Diaminotriazole-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 (Wild-Type) in Complex with Diaminotriazole-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:44.6
occ:1.00
 F01 B:NKY801 0.0 44.6 1.0
C02 B:NKY801 1.3 42.6 1.0
C03 B:NKY801 2.3 34.9 1.0
C09 B:NKY801 2.4 37.8 1.0
C10 B:NKY801 2.8 41.6 1.0
CD2 B:LEU531 3.3 49.7 1.0
N11 B:NKY801 3.4 37.2 1.0
CA B:GLY528 3.4 36.0 1.0
CB B:LEU531 3.5 35.4 1.0
O28 B:NKY801 3.5 44.9 1.0
C04 B:NKY801 3.6 38.6 1.0
N27 B:NKY801 3.6 38.1 1.0
C06 B:NKY801 3.6 37.0 1.0
O B:HOH1005 3.6 35.4 1.0
CG B:LEU531 4.0 49.0 1.0
N B:GLY528 4.0 32.4 1.0
C05 B:NKY801 4.1 34.7 1.0
C12 B:NKY801 4.5 37.4 1.0
C B:GLY528 4.6 34.5 1.0
CD1 B:LEU531 4.7 48.5 1.0
C15 B:NKY801 4.7 38.6 1.0
O07 B:NKY801 4.7 36.7 1.0
CA B:LEU531 4.8 34.0 1.0
O B:GLY528 4.9 30.5 1.0
C B:ASN527 4.9 33.2 1.0
O2 B:SO4802 5.0 52.1 1.0
N B:LEU531 5.0 32.1 1.0

Reference:

R.Pisa, T.Cupido, J.B.Steinman, N.H.Jones, T.M.Kapoor. Analyzing Resistance to Design Selective Chemical Inhibitors For Aaa Proteins. Cell Chem Biol V. 26 1263 2019.
ISSN: ESSN 2451-9456
PubMed: 31257183
DOI: 10.1016/J.CHEMBIOL.2019.06.001
Page generated: Fri Aug 2 00:02:25 2024

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