Fluorine in PDB 9msq: Candida Albicans HSP90 Nucleotide Binding Domain in Complex with HSP990

The structure of Candida Albicans HSP90 Nucleotide Binding Domain in Complex with HSP990, PDB code: 9msq was solved by M.E.Kowalewski, M.R.Redinbo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.35 / 2.53
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	73.758, 73.758, 107.014, 90, 90, 90
R / Rfree (%)	21.1 / 26.6

The binding sites of Fluorine atom in the Candida Albicans HSP90 Nucleotide Binding Domain in Complex with HSP990 (pdb code 9msq). 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 Candida Albicans HSP90 Nucleotide Binding Domain in Complex with HSP990, PDB code: 9msq:

Fluorine binding site 1 out of 1 in the Candida Albicans HSP90 Nucleotide Binding Domain in Complex with HSP990


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Candida Albicans HSP90 Nucleotide Binding Domain in Complex with HSP990 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:47.6 occ:1.00 F17 A:990301 0.0 47.6 1.0 C16 A:990301 1.4 49.3 1.0 C18 A:990301 2.3 52.4 1.0 HE2 A:TYR128 2.4 57.7 1.0 C19 A:990301 2.4 31.9 1.0 H1 A:990301 2.5 62.7 1.0 H8 A:990301 2.7 38.2 1.0 HB1 A:ALA100 2.9 81.4 1.0 HA A:VAL125 3.0 50.7 1.0 HG12 A:VAL125 3.1 53.1 1.0 CE2 A:TYR128 3.1 48.2 1.0 HB3 A:ALA100 3.4 81.4 1.0 CB A:ALA100 3.6 67.9 1.0 HD2 A:TYR128 3.6 57.6 1.0 C8 A:990301 3.6 45.9 1.0 HH A:TYR128 3.6 87.5 1.0 C20 A:990301 3.7 38.9 1.0 HA A:ALA100 3.7 90.4 1.0 HG13 A:VAL125 3.7 53.1 1.0 CG1 A:VAL125 3.7 44.4 1.0 CD2 A:TYR128 3.8 48.1 1.0 HB3 A:PHE127 3.8 48.5 1.0 HB A:VAL125 3.8 57.6 1.0 CA A:VAL125 3.8 42.3 1.0 CB A:VAL125 4.0 48.1 1.0 O A:GLY124 4.0 48.1 1.0 CZ A:TYR128 4.1 63.5 1.0 C7 A:990301 4.1 40.1 1.0 CA A:ALA100 4.2 75.4 1.0 OH A:TYR128 4.2 73.1 1.0 O A:HOH413 4.3 39.3 1.0 HB2 A:ALA100 4.4 81.4 1.0 HD2 A:PHE127 4.4 59.1 1.0 H7 A:990301 4.5 57.7 1.0 H9 A:990301 4.6 46.6 1.0 C A:VAL125 4.6 43.0 1.0 HG11 A:VAL125 4.6 53.1 1.0 CB A:PHE127 4.7 40.5 1.0 O A:VAL125 4.8 44.5 1.0 C21 A:990301 4.8 54.8 1.0 HB2 A:PHE127 4.8 48.5 1.0 N A:VAL125 4.9 53.4 1.0 C A:GLY124 4.9 45.7 1.0 HD12 A:ILE15 4.9 85.0 1.0 H A:PHE127 4.9 55.7 1.0 H A:ALA100 4.9 99.2 1.0 N A:ALA100 4.9 82.7 1.0 H A:TYR128 5.0 38.2 1.0

M.E.Kowalewski, S.Zagler, M.R.Redinbo. Structural Insights Into Selectively Targeting Candida Albicans HSP90. Biochemistry 2025.
ISSN: ISSN 0006-2960
PubMed: 40397669
DOI: 10.1021/ACS.BIOCHEM.5C00015