Fluorine in PDB 8h77: HSP90-Ahr-P23-XAP2 Complex

All present enzymatic activity of HSP90-Ahr-P23-XAP2 Complex:
5.3.99.3;

The binding sites of Fluorine atom in the HSP90-Ahr-P23-XAP2 Complex (pdb code 8h77). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the HSP90-Ahr-P23-XAP2 Complex, PDB code: 8h77:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the HSP90-Ahr-P23-XAP2 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of HSP90-Ahr-P23-XAP2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:72.6 occ:1.00 F1 A:BEF802 0.0 72.6 1.0 BE A:BEF802 1.5 72.6 1.0 O1B A:ADP801 1.9 71.2 1.0 F3 A:BEF802 2.5 72.6 1.0 F2 A:BEF802 2.6 72.6 1.0 PB A:ADP801 3.0 71.2 1.0 O2B A:ADP801 3.3 71.2 1.0 OE1 A:GLU42 3.3 72.1 1.0 O3A A:ADP801 3.7 71.2 1.0 CA A:GLY132 3.8 69.2 1.0 ND2 A:ASN46 4.0 70.8 1.0 N A:GLY132 4.2 69.2 1.0 CA A:GLY127 4.2 69.3 1.0 O1A A:ADP801 4.3 71.2 1.0 O3B A:ADP801 4.3 71.2 1.0 CD A:GLU42 4.5 72.1 1.0 PA A:ADP801 4.5 71.2 1.0 NH1 A:ARG392 4.8 72.1 1.0 C A:GLY132 4.8 69.2 1.0 CZ A:ARG392 5.0 72.1 1.0 O2A A:ADP801 5.0 71.2 1.0

Fluorine binding site 2 out of 6 in the HSP90-Ahr-P23-XAP2 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of HSP90-Ahr-P23-XAP2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:72.6 occ:1.00 F2 A:BEF802 0.0 72.6 1.0 BE A:BEF802 1.6 72.6 1.0 O1B A:ADP801 2.3 71.2 1.0 F3 A:BEF802 2.5 72.6 1.0 F1 A:BEF802 2.6 72.6 1.0 O A:ILE126 2.6 69.3 1.0 CA A:GLY127 2.8 69.3 1.0 PB A:ADP801 3.1 71.2 1.0 C A:ILE126 3.2 69.3 1.0 N A:GLY127 3.4 69.3 1.0 O2B A:ADP801 3.5 71.2 1.0 O3B A:ADP801 3.6 71.2 1.0 ND2 A:ASN46 3.6 70.8 1.0 C A:GLY127 3.7 69.3 1.0 OD2 A:ASP49 3.7 73.2 1.0 O A:GLY127 4.0 69.3 1.0 OG A:SER45 4.3 69.2 1.0 CA A:ILE126 4.5 69.3 1.0 CG2 A:ILE126 4.6 69.3 1.0 O3A A:ADP801 4.6 71.2 1.0 N A:GLN128 4.6 70.9 1.0 O1A A:ADP801 4.7 71.2 1.0 CB A:ILE126 4.7 69.3 1.0 CG A:ASP49 4.8 73.2 1.0 CG A:ASN46 5.0 70.8 1.0

Fluorine binding site 3 out of 6 in the HSP90-Ahr-P23-XAP2 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of HSP90-Ahr-P23-XAP2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:72.6 occ:1.00 F3 A:BEF802 0.0 72.6 1.0 BE A:BEF802 1.5 72.6 1.0 ND2 A:ASN46 2.2 70.8 1.0 F2 A:BEF802 2.5 72.6 1.0 F1 A:BEF802 2.5 72.6 1.0 O1B A:ADP801 2.8 71.2 1.0 CG A:ASN46 3.3 70.8 1.0 OE1 A:GLU42 3.5 72.1 1.0 OG A:SER45 3.5 69.2 1.0 O A:GLU42 3.5 72.1 1.0 CB A:SER45 3.7 69.2 1.0 N A:ASN46 3.7 70.8 1.0 OD1 A:ASN46 3.9 70.8 1.0 CA A:ASN46 4.1 70.8 1.0 C A:SER45 4.2 69.2 1.0 PB A:ADP801 4.2 71.2 1.0 O1A A:ADP801 4.2 71.2 1.0 CB A:ASN46 4.2 70.8 1.0 OD2 A:ASP49 4.3 73.2 1.0 C A:GLU42 4.4 72.1 1.0 O A:ILE126 4.5 69.3 1.0 CA A:GLU42 4.5 72.1 1.0 CA A:SER45 4.6 69.2 1.0 CD A:GLU42 4.7 72.1 1.0 O A:SER45 4.7 69.2 1.0 O3B A:ADP801 4.9 71.2 1.0 CB A:GLU42 4.9 72.1 1.0

Fluorine binding site 4 out of 6 in the HSP90-Ahr-P23-XAP2 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of HSP90-Ahr-P23-XAP2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F802 b:71.1 occ:1.00 F1 B:BEF802 0.0 71.1 1.0 OD1 B:ASN46 1.4 70.6 1.0 BE B:BEF802 1.5 71.1 1.0 CG B:ASN46 2.4 70.6 1.0 O1B B:ADP801 2.5 72.8 1.0 F3 B:BEF802 2.5 71.1 1.0 F2 B:BEF802 2.6 71.1 1.0 O B:GLU42 3.0 74.7 1.0 ND2 B:ASN46 3.2 70.6 1.0 N B:ASN46 3.3 70.6 1.0 CB B:ASN46 3.4 70.6 1.0 CA B:ASN46 3.5 70.6 1.0 O2A B:ADP801 3.7 72.8 1.0 PB B:ADP801 3.9 72.8 1.0 CB B:SER45 4.0 70.7 1.0 C B:GLU42 4.0 74.7 1.0 C B:SER45 4.0 70.7 1.0 OE1 B:GLU42 4.2 74.7 1.0 CA B:GLU42 4.5 74.7 1.0 O3B B:ADP801 4.5 72.8 1.0 PA B:ADP801 4.6 72.8 1.0 CA B:SER45 4.6 70.7 1.0 O3A B:ADP801 4.7 72.8 1.0 O B:SER45 4.7 70.7 1.0 CB B:GLU42 4.8 74.7 1.0 CA B:GLY127 4.8 72.3 1.0 O2B B:ADP801 4.9 72.8 1.0 O1A B:ADP801 5.0 72.8 1.0

Fluorine binding site 5 out of 6 in the HSP90-Ahr-P23-XAP2 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of HSP90-Ahr-P23-XAP2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F802 b:71.1 occ:1.00 F2 B:BEF802 0.0 71.1 1.0 BE B:BEF802 1.6 71.1 1.0 O1B B:ADP801 1.9 72.8 1.0 CA B:GLY127 2.4 72.3 1.0 F3 B:BEF802 2.5 71.1 1.0 F1 B:BEF802 2.6 71.1 1.0 PB B:ADP801 2.6 72.8 1.0 O3B B:ADP801 2.8 72.8 1.0 N B:GLY127 3.2 72.3 1.0 OD1 B:ASN46 3.3 70.6 1.0 O2B B:ADP801 3.3 72.8 1.0 C B:GLY127 3.7 72.3 1.0 NH2 B:ARG392 3.9 74.9 1.0 NH1 B:ARG392 4.0 74.9 1.0 O3A B:ADP801 4.1 72.8 1.0 N B:GLN128 4.2 72.8 1.0 C B:ILE126 4.2 72.3 1.0 CZ B:ARG392 4.4 74.9 1.0 CG B:ASN46 4.5 70.6 1.0 O2A B:ADP801 4.6 72.8 1.0 OD2 B:ASP49 4.6 71.8 1.0 O B:GLY127 4.6 72.3 1.0 OE1 B:GLU42 4.7 74.7 1.0 O B:ILE126 4.7 72.3 1.0 PA B:ADP801 4.8 72.8 1.0 CG2 B:ILE126 4.9 72.3 1.0 CB B:SER45 5.0 70.7 1.0

Fluorine binding site 6 out of 6 in the HSP90-Ahr-P23-XAP2 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of HSP90-Ahr-P23-XAP2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F802 b:71.1 occ:1.00 F3 B:BEF802 0.0 71.1 1.0 BE B:BEF802 1.5 71.1 1.0 O1B B:ADP801 2.4 72.8 1.0 F2 B:BEF802 2.5 71.1 1.0 F1 B:BEF802 2.5 71.1 1.0 O3B B:ADP801 2.9 72.8 1.0 PB B:ADP801 3.2 72.8 1.0 OE1 B:GLU42 3.3 74.7 1.0 OD1 B:ASN46 3.4 70.6 1.0 O1A B:ADP801 3.6 72.8 1.0 O2A B:ADP801 3.8 72.8 1.0 O B:VAL131 3.8 70.7 1.0 PA B:ADP801 3.8 72.8 1.0 O3A B:ADP801 3.9 72.8 1.0 CA B:GLY132 3.9 71.2 1.0 C B:GLY132 4.0 71.2 1.0 N B:PHE133 4.1 70.5 1.0 NH1 B:ARG392 4.1 74.9 1.0 CG B:ASN46 4.2 70.6 1.0 ND2 B:ASN46 4.3 70.6 1.0 CD B:GLU42 4.5 74.7 1.0 C B:VAL131 4.5 70.7 1.0 O2B B:ADP801 4.6 72.8 1.0 N B:GLY132 4.6 71.2 1.0 O B:GLY132 4.6 71.2 1.0 CB B:GLU42 4.7 74.7 1.0 O B:GLU42 4.7 74.7 1.0 CA B:GLY127 4.8 72.3 1.0 NH2 B:ARG392 4.9 74.9 1.0 CG B:GLU42 5.0 74.7 1.0 CZ B:ARG392 5.0 74.9 1.0

Z.L.Wen, Y.J.Zhai, Y.Zhu, F.Sun. Cryo-Em Structure of the Cytosolic Ahr Complex Structure 2022.
ISSN: ISSN 0969-2126