Fluorine in PDB 8tsi: S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4-

The structure of S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4- also contains other interesting chemical elements:

Aluminium

(Al)

2 atoms

The binding sites of Fluorine atom in the S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4- (pdb code 8tsi). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4-, PDB code: 8tsi:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in the S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4- within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:75.9 occ:1.00 F1 A:ALF302 0.0 75.9 1.0 AL A:ALF302 1.8 75.9 1.0 O2B B:ADP302 2.5 88.3 1.0 ND2 B:ASN40 2.5 74.4 1.0 F3 A:ALF302 2.5 75.9 1.0 F4 A:ALF302 2.5 75.9 1.0 OG A:SER127 3.4 71.9 1.0 N A:GLY129 3.4 65.9 1.0 F2 A:ALF302 3.6 75.9 1.0 CA A:GLY129 3.6 65.9 1.0 CG B:ASN40 3.7 74.4 1.0 PB B:ADP302 3.8 88.3 1.0 NZ B:LYS44 3.9 73.5 1.0 O A:VAL155 4.0 74.1 1.0 O1B B:ADP302 4.1 88.3 1.0 CA B:ASN40 4.2 74.4 1.0 CB A:SER127 4.3 71.9 1.0 NE2 B:HIS182 4.3 73.0 1.0 CB B:ASN40 4.4 74.4 1.0 C A:SER128 4.4 59.3 1.0 O3A B:ADP302 4.6 88.3 1.0 N A:SER128 4.6 59.3 1.0 OD1 B:ASN40 4.6 74.4 1.0 C A:GLY129 4.7 65.9 1.0 N B:ASN40 4.8 74.4 1.0 O B:ARG39 4.9 70.2 1.0 CA A:SER128 4.9 59.3 0.4 O3B B:ADP302 4.9 88.3 1.0 CE B:LYS44 4.9 73.5 1.0 N A:MET130 4.9 72.9 1.0

Fluorine binding site 2 out of 8 in the S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4- within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:75.9 occ:1.00 F2 A:ALF302 0.0 75.9 1.0 AL A:ALF302 1.8 75.9 1.0 F4 A:ALF302 2.5 75.9 1.0 F3 A:ALF302 2.5 75.9 1.0 O1B B:ADP302 3.2 88.3 1.0 OE2 B:GLU151 3.3 30.0 1.0 F1 A:ALF302 3.6 75.9 1.0 O2B B:ADP302 3.8 88.3 1.0 PB B:ADP302 3.9 88.3 1.0 CB A:SER128 4.1 59.3 0.4 OG B:SER45 4.1 73.6 1.0 CE B:LYS44 4.2 73.5 1.0 CD B:GLU151 4.2 30.0 1.0 NZ B:LYS44 4.3 73.5 1.0 OD1 B:ASP150 4.3 74.0 1.0 OG A:SER128 4.5 59.3 0.4 O3B B:ADP302 4.7 88.3 1.0 NE2 B:HIS182 4.7 73.0 1.0 OE1 B:GLU151 4.8 30.0 1.0 N A:SER128 5.0 59.3 1.0

Fluorine binding site 3 out of 8 in the S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4- within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:75.9 occ:1.00 F3 A:ALF302 0.0 75.9 1.0 AL A:ALF302 1.8 75.9 1.0 F1 A:ALF302 2.5 75.9 1.0 F2 A:ALF302 2.5 75.9 1.0 O1B B:ADP302 2.5 88.3 1.0 N A:SER128 2.8 59.3 1.0 O2B B:ADP302 2.9 88.3 1.0 OG A:SER127 3.2 71.9 1.0 PB B:ADP302 3.2 88.3 1.0 CB A:SER128 3.2 59.3 0.4 CB A:SER127 3.3 71.9 1.0 N A:GLY129 3.3 65.9 1.0 CA A:SER128 3.4 59.3 0.4 F4 A:ALF302 3.6 75.9 1.0 C A:SER128 3.7 59.3 1.0 C A:SER127 3.8 71.9 1.0 OG A:SER128 3.9 59.3 0.4 O3A B:ADP302 4.0 88.3 1.0 CA A:SER127 4.0 71.9 1.0 CA A:GLY129 4.4 65.9 1.0 OG B:SER45 4.5 73.6 1.0 O1A B:ADP302 4.5 88.3 1.0 O3B B:ADP302 4.6 88.3 1.0 O A:SER127 4.8 71.9 1.0 O A:SER128 4.8 59.3 1.0 NZ B:LYS44 4.9 73.5 1.0 ND2 B:ASN40 4.9 74.4 1.0 PA B:ADP302 4.9 88.3 1.0

Fluorine binding site 4 out of 8 in the S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4- within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:75.9 occ:1.00 F4 A:ALF302 0.0 75.9 1.0 AL A:ALF302 1.8 75.9 1.0 NE2 B:HIS182 2.5 73.0 1.0 F2 A:ALF302 2.5 75.9 1.0 F1 A:ALF302 2.5 75.9 1.0 NZ B:LYS44 3.1 73.5 1.0 CD2 B:HIS182 3.3 73.0 1.0 CE1 B:HIS182 3.4 73.0 1.0 O2B B:ADP302 3.4 88.3 1.0 CE B:LYS44 3.5 73.5 1.0 F3 A:ALF302 3.6 75.9 1.0 O A:VAL155 4.1 74.1 1.0 ND2 B:ASN40 4.1 74.4 1.0 PB B:ADP302 4.4 88.3 1.0 CG B:HIS182 4.5 73.0 1.0 ND1 B:HIS182 4.5 73.0 1.0 OE2 B:GLU151 4.5 30.0 1.0 O1B B:ADP302 4.6 88.3 1.0 C A:VAL155 4.7 74.1 1.0 CA A:VAL155 5.0 74.1 1.0 CD B:LYS44 5.0 73.5 1.0

Fluorine binding site 5 out of 8 in the S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4- within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:75.9 occ:1.00 F1 B:ALF301 0.0 75.9 1.0 AL B:ALF301 1.8 75.9 1.0 O2B A:ADP301 2.5 88.3 1.0 ND2 A:ASN40 2.5 74.4 1.0 F3 B:ALF301 2.5 75.9 1.0 F4 B:ALF301 2.5 75.9 1.0 OG B:SER127 3.3 71.9 1.0 N B:GLY129 3.4 65.9 1.0 F2 B:ALF301 3.6 75.9 1.0 CA B:GLY129 3.6 65.9 1.0 CG A:ASN40 3.7 74.4 1.0 PB A:ADP301 3.8 88.3 1.0 NZ A:LYS44 3.9 73.5 1.0 O B:VAL155 4.0 74.1 1.0 O1B A:ADP301 4.1 88.3 1.0 CA A:ASN40 4.2 74.4 1.0 CB B:SER127 4.2 71.9 1.0 NE2 A:HIS182 4.3 73.0 1.0 CB A:ASN40 4.4 74.4 1.0 C B:SER128 4.4 59.3 1.0 O3A A:ADP301 4.6 88.3 1.0 N B:SER128 4.6 59.3 1.0 OD1 A:ASN40 4.6 74.4 1.0 C B:GLY129 4.7 65.9 1.0 N A:ASN40 4.8 74.4 1.0 O A:ARG39 4.9 70.2 1.0 CA B:SER128 4.9 59.3 0.4 O3B A:ADP301 4.9 88.3 1.0 CE A:LYS44 4.9 73.5 1.0 N B:MET130 4.9 72.9 1.0

Fluorine binding site 6 out of 8 in the S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4- within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:75.9 occ:1.00 F2 B:ALF301 0.0 75.9 1.0 AL B:ALF301 1.8 75.9 1.0 F4 B:ALF301 2.5 75.9 1.0 F3 B:ALF301 2.5 75.9 1.0 O1B A:ADP301 3.2 88.3 1.0 OE2 A:GLU151 3.3 30.0 1.0 F1 B:ALF301 3.6 75.9 1.0 O2B A:ADP301 3.8 88.3 1.0 PB A:ADP301 3.9 88.3 1.0 CB B:SER128 4.1 59.3 0.4 OG A:SER45 4.1 73.6 1.0 CE A:LYS44 4.2 73.5 1.0 CD A:GLU151 4.2 30.0 1.0 NZ A:LYS44 4.3 73.5 1.0 OD1 A:ASP150 4.3 74.0 1.0 OG B:SER128 4.5 59.3 0.4 O3B A:ADP301 4.7 88.3 1.0 NE2 A:HIS182 4.7 73.0 1.0 OE1 A:GLU151 4.8 30.0 1.0 N B:SER128 4.9 59.3 1.0 CA B:SER128 5.0 59.3 0.4

Fluorine binding site 7 out of 8 in the S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4- within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:75.9 occ:1.00 F3 B:ALF301 0.0 75.9 1.0 AL B:ALF301 1.8 75.9 1.0 F1 B:ALF301 2.5 75.9 1.0 F2 B:ALF301 2.5 75.9 1.0 O1B A:ADP301 2.5 88.3 1.0 N B:SER128 2.8 59.3 1.0 O2B A:ADP301 2.9 88.3 1.0 OG B:SER127 3.2 71.9 1.0 PB A:ADP301 3.2 88.3 1.0 CB B:SER128 3.2 59.3 0.4 CB B:SER127 3.3 71.9 1.0 N B:GLY129 3.3 65.9 1.0 CA B:SER128 3.4 59.3 0.4 F4 B:ALF301 3.6 75.9 1.0 C B:SER128 3.7 59.3 1.0 C B:SER127 3.7 71.9 1.0 OG B:SER128 3.8 59.3 0.4 O3A A:ADP301 4.0 88.3 1.0 CA B:SER127 4.0 71.9 1.0 CA B:GLY129 4.4 65.9 1.0 OG A:SER45 4.5 73.6 1.0 O1A A:ADP301 4.5 88.3 1.0 O3B A:ADP301 4.6 88.3 1.0 O B:SER127 4.8 71.9 1.0 O B:SER128 4.8 59.3 1.0 NZ A:LYS44 4.9 73.5 1.0 ND2 A:ASN40 4.9 74.4 1.0 PA A:ADP301 4.9 88.3 1.0

Fluorine binding site 8 out of 8 in the S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of S. Thermodepolymerans Kpsmt-Kpse in Complex with Adp:ALF4- within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:75.9 occ:1.00 F4 B:ALF301 0.0 75.9 1.0 AL B:ALF301 1.8 75.9 1.0 NE2 A:HIS182 2.5 73.0 1.0 F2 B:ALF301 2.5 75.9 1.0 F1 B:ALF301 2.5 75.9 1.0 NZ A:LYS44 3.1 73.5 1.0 CD2 A:HIS182 3.3 73.0 1.0 O2B A:ADP301 3.4 88.3 1.0 CE1 A:HIS182 3.4 73.0 1.0 CE A:LYS44 3.5 73.5 1.0 F3 B:ALF301 3.6 75.9 1.0 O B:VAL155 4.1 74.1 1.0 ND2 A:ASN40 4.1 74.4 1.0 PB A:ADP301 4.4 88.3 1.0 CG A:HIS182 4.5 73.0 1.0 ND1 A:HIS182 4.5 73.0 1.0 OE2 A:GLU151 4.5 30.0 1.0 O1B A:ADP301 4.6 88.3 1.0 C B:VAL155 4.7 74.1 1.0 CD A:LYS44 5.0 73.5 1.0 CA B:VAL155 5.0 74.1 1.0

J.Kuklewicz, J.Zimmer. Molecular Insights Into Capsular Polysaccharide Secretion. Nature 2024.
ISSN: ESSN 1476-4687
PubMed: 38570679
DOI: 10.1038/S41586-024-07248-9