Fluorine in PDB 7qu0: X-Ray Structure of Fad Domain of Nqrf of Klebsiella Pneumoniae

All present enzymatic activity of X-Ray Structure of Fad Domain of Nqrf of Klebsiella Pneumoniae:
7.2.1.1;

The structure of X-Ray Structure of Fad Domain of Nqrf of Klebsiella Pneumoniae, PDB code: 7qu0 was solved by D.Stegmann, J.Steuber, G.Fritz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.18 / 1.62
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.84, 98.84, 88.75, 90, 90, 90
R / Rfree (%)	16.8 / 19.3

The binding sites of Fluorine atom in the X-Ray Structure of Fad Domain of Nqrf of Klebsiella Pneumoniae (pdb code 7qu0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the X-Ray Structure of Fad Domain of Nqrf of Klebsiella Pneumoniae, PDB code: 7qu0:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the X-Ray Structure of Fad Domain of Nqrf of Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of X-Ray Structure of Fad Domain of Nqrf of Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:35.1 occ:1.00 F1 A:F2L502 0.0 35.1 1.0 C4 A:F2L502 1.4 29.2 1.0 C3 A:F2L502 2.3 30.1 1.0 C5 A:F2L502 2.4 30.4 1.0 N1 A:F2L502 2.8 28.6 1.0 O1 A:F2L502 2.9 27.3 1.0 C2 A:F2L502 3.0 31.1 1.0 CG A:PRO379 3.1 35.5 1.0 CB A:MET382 3.4 23.7 1.0 CE A:MET382 3.4 23.8 1.0 C8 A:F2L502 3.6 32.4 1.0 C6 A:F2L502 3.6 31.1 1.0 CG1 A:VAL381 3.7 30.7 1.0 N A:MET382 4.0 24.6 1.0 O A:HOH836 4.0 48.3 1.0 CD A:PRO379 4.1 27.2 1.0 C7 A:F2L502 4.1 30.2 1.0 CA A:MET382 4.1 25.0 1.0 CG A:MET382 4.2 22.5 1.0 CB A:PRO379 4.3 29.9 1.0 C1 A:F2L502 4.3 29.9 1.0 O A:HOH689 4.4 21.8 1.0 SD A:MET382 4.6 24.2 1.0 O A:HOH793 4.6 43.6 1.0 F2 A:F2L502 4.7 36.2 1.0 C A:VAL381 4.9 26.6 1.0

Fluorine binding site 2 out of 2 in the X-Ray Structure of Fad Domain of Nqrf of Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of X-Ray Structure of Fad Domain of Nqrf of Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:36.2 occ:1.00 F2 A:F2L502 0.0 36.2 1.0 C8 A:F2L502 1.4 32.4 1.0 C3 A:F2L502 2.3 30.1 1.0 C7 A:F2L502 2.4 30.2 1.0 N1 A:F2L502 2.7 28.6 1.0 CE1 A:PHE353 3.1 32.1 1.0 CB A:SER339 3.1 26.4 1.0 CD1 A:PHE353 3.2 30.1 1.0 OG A:SER339 3.2 25.7 1.0 C4 A:F2L502 3.6 29.2 1.0 C6 A:F2L502 3.6 31.1 1.0 O A:HOH746 3.7 38.5 1.0 C2 A:F2L502 3.8 31.1 1.0 C5 A:F2L502 4.1 30.4 1.0 O A:HOH692 4.2 24.4 1.0 O1 A:F2L502 4.3 27.3 1.0 CZ A:PHE353 4.4 34.1 1.0 O A:HOH735 4.4 52.2 1.0 CG A:PHE353 4.5 28.9 1.0 O A:HOH689 4.5 21.8 1.0 CA A:SER339 4.6 19.7 1.0 F1 A:F2L502 4.7 35.1 1.0 C1 A:F2L502 4.7 29.9 1.0 OD2 A:ASP340 4.7 30.3 0.5

J.W.Kaminski, L.Vera, D.P.Stegmann, J.Vering, D.Eris, K.M.L.Smith, C.Y.Huang, N.Meier, J.Steuber, M.Wang, G.Fritz, J.A.Wojdyla, M.E.Sharpe. Fast Fragment- and Compound-Screening Pipeline at the Swiss Light Source. Acta Crystallogr D Struct V. 78 328 2022BIOL.
ISSN: ISSN 2059-7983
PubMed: 35234147
DOI: 10.1107/S2059798322000705