Fluorine in PDB 8oxu: Crystal Structure of the HSP90-LA1011 Complex

The structure of Crystal Structure of the HSP90-LA1011 Complex, PDB code: 8oxu was solved by S.M.Roe, C.Prodromou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	79.71 / 2.94
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	97.714, 97.714, 275.575, 90, 90, 90
R / Rfree (%)	24.7 / 30.6

The binding sites of Fluorine atom in the Crystal Structure of the HSP90-LA1011 Complex (pdb code 8oxu). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the HSP90-LA1011 Complex, PDB code: 8oxu:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of the HSP90-LA1011 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the HSP90-LA1011 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:F801 b:63.7 occ:1.00 F C:W5R801 0.0 63.7 1.0 C24 C:W5R801 1.3 64.2 1.0 F1 C:W5R801 2.1 56.4 1.0 F2 C:W5R801 2.1 74.0 1.0 C C:W5R801 2.4 62.4 1.0 C5 C:W5R801 3.0 58.2 1.0 CD2 C:LEU642 3.0 52.4 1.0 C1 C:W5R801 3.5 68.1 1.0 CD1 C:LEU625 4.1 56.0 1.0 C4 C:W5R801 4.3 60.5 1.0 CB C:GLU624 4.3 57.3 1.0 CG C:GLU624 4.4 66.7 1.0 CG C:LEU642 4.5 50.9 1.0 NE C:ARG628 4.5 61.8 1.0 C2 C:W5R801 4.6 65.9 1.0 NH2 C:ARG628 4.7 60.6 1.0 O B:ILE672 4.8 47.8 1.0 CZ C:ARG628 4.8 62.1 1.0 O C:ILE621 4.8 45.2 1.0 C3 C:W5R801 5.0 64.6 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the HSP90-LA1011 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the HSP90-LA1011 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:F801 b:56.4 occ:1.00 F1 C:W5R801 0.0 56.4 1.0 C24 C:W5R801 1.3 64.2 1.0 F C:W5R801 2.1 63.7 1.0 F2 C:W5R801 2.1 74.0 1.0 C C:W5R801 2.4 62.4 1.0 C1 C:W5R801 2.7 68.1 1.0 O B:GLY675 3.5 62.5 1.0 C5 C:W5R801 3.6 58.2 1.0 O B:ILE672 3.7 47.8 1.0 CB B:LEU676 3.8 60.9 1.0 C B:GLY675 3.9 60.2 1.0 CA B:LEU676 3.9 73.7 1.0 C2 C:W5R801 4.1 65.9 1.0 N B:LEU676 4.2 65.4 1.0 CG C:GLU624 4.3 66.7 1.0 CB C:GLU624 4.4 57.3 1.0 CD2 C:LEU642 4.6 52.4 1.0 C4 C:W5R801 4.8 60.5 1.0 CA B:GLY675 4.8 57.1 1.0 C B:ILE672 4.9 44.4 1.0 CD C:GLU624 4.9 84.7 1.0 C3 C:W5R801 5.0 64.6 1.0 NH2 C:ARG628 5.0 60.6 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the HSP90-LA1011 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the HSP90-LA1011 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:F801 b:74.0 occ:1.00 F2 C:W5R801 0.0 74.0 1.0 C24 C:W5R801 1.3 64.2 1.0 F C:W5R801 2.1 63.7 1.0 F1 C:W5R801 2.1 56.4 1.0 C C:W5R801 2.4 62.4 1.0 NH2 C:ARG628 3.0 60.6 1.0 C5 C:W5R801 3.0 58.2 1.0 CG C:GLU624 3.4 66.7 1.0 C1 C:W5R801 3.4 68.1 1.0 NE C:ARG628 3.5 61.8 1.0 CZ C:ARG628 3.5 62.1 1.0 O B:GLY675 3.6 62.5 1.0 CB C:GLU624 4.0 57.3 1.0 CD C:GLU624 4.2 84.7 1.0 C4 C:W5R801 4.3 60.5 1.0 NH1 C:ARG628 4.5 64.5 1.0 C B:GLY675 4.6 60.2 1.0 C2 C:W5R801 4.6 65.9 1.0 CD C:ARG628 4.6 64.8 1.0 OE2 C:GLU624 4.7 86.3 1.0 CA B:LEU676 4.7 73.7 1.0 CD2 C:LEU642 4.8 52.4 1.0 OE1 C:GLU624 4.9 86.0 1.0 C3 C:W5R801 4.9 64.6 1.0

S.M.Roe, C.Prodromou. The Crystal Structure of the HSP90 LA1011 Complex and the Mechanism By Which LA1011 May Improve the Prognosis of Alzheimers Disease. To Be Published.