Chlorine in PDB 8sl9: Crystal Structure of Francisella Tularensis Hppk-Dhps in Complex with Hppk Inhibitor Hp-73

The structure of Crystal Structure of Francisella Tularensis Hppk-Dhps in Complex with Hppk Inhibitor Hp-73, PDB code: 8sl9 was solved by G.X.Shaw, G.Shi, S.Cherry, D.Needle, J.E.Tropea, D.S.Waugh, X.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.10 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.847, 73.977, 69.557, 90, 94.87, 90
R / Rfree (%)	16.4 / 17.8

The binding sites of Chlorine atom in the Crystal Structure of Francisella Tularensis Hppk-Dhps in Complex with Hppk Inhibitor Hp-73 (pdb code 8sl9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Francisella Tularensis Hppk-Dhps in Complex with Hppk Inhibitor Hp-73, PDB code: 8sl9:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Francisella Tularensis Hppk-Dhps in Complex with Hppk Inhibitor Hp-73


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Francisella Tularensis Hppk-Dhps in Complex with Hppk Inhibitor Hp-73 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl524 b:23.9 occ:1.00 H A:LEU167 2.1 10.7 1.0 HA A:SER38 2.8 9.7 0.1 HB A:THR166 2.8 14.1 1.0 HA A:SER38 2.9 9.5 0.9 O A:ALA37 2.9 9.4 1.0 HB2 A:LEU167 2.9 11.7 1.0 CL A:CL526 2.9 45.1 1.0 N A:LEU167 2.9 8.9 1.0 HA A:THR166 3.2 10.7 1.0 HG A:LEU167 3.4 12.3 1.0 HD12 A:LEU167 3.4 17.2 1.0 CB A:LEU167 3.6 9.8 1.0 CB A:THR166 3.6 11.7 1.0 CA A:THR166 3.6 8.9 1.0 CA A:SER38 3.6 8.1 0.1 CA A:SER38 3.7 7.9 0.9 HG A:LEU39 3.7 9.2 1.0 C A:THR166 3.7 8.4 1.0 CA A:LEU167 3.8 9.7 1.0 C A:ALA37 3.8 8.5 1.0 CG A:LEU167 3.8 10.2 1.0 H A:LEU39 4.0 9.7 1.0 N A:SER38 4.0 9.2 0.9 CD1 A:LEU167 4.1 14.3 1.0 N A:SER38 4.1 9.3 0.1 C A:SER38 4.2 7.5 0.1 C A:SER38 4.2 7.5 0.9 N A:LEU39 4.3 8.1 1.0 O A:HOH661 4.4 10.0 1.0 HD11 A:LEU167 4.4 17.2 1.0 HZ3 A:LYS36 4.4 58.0 1.0 OG1 A:THR166 4.4 13.3 1.0 HB3 A:LEU167 4.4 11.7 1.0 H A:ALA168 4.5 11.2 1.0 O A:HOH650 4.5 29.6 1.0 HA A:LEU167 4.5 11.6 1.0 O A:HOH928 4.5 30.5 1.0 C A:LEU167 4.6 8.3 1.0 HG22 A:THR166 4.6 19.2 1.0 CG2 A:THR166 4.6 16.0 1.0 HB3 A:LYS36 4.7 11.9 1.0 CG A:LEU39 4.7 7.7 1.0 CB A:SER38 4.8 9.7 0.1 H A:SER38 4.8 11.1 0.9 N A:ALA168 4.8 9.4 1.0 HB2 A:LYS36 4.8 11.9 1.0 H A:SER38 4.8 11.1 0.1 HG21 A:THR166 4.9 19.2 1.0 O A:SER38 4.9 8.1 0.9 CB A:SER38 4.9 9.7 0.9 HB3 A:SER38 4.9 11.6 0.1 HD13 A:LEU167 4.9 17.2 1.0 O A:SER38 4.9 8.2 0.1 OG A:SER38 4.9 12.9 0.1 O A:GLN165 4.9 10.0 1.0 O A:THR166 4.9 8.1 1.0 HG A:SER38 4.9 15.5 0.9 O A:LYS36 5.0 11.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Francisella Tularensis Hppk-Dhps in Complex with Hppk Inhibitor Hp-73


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Francisella Tularensis Hppk-Dhps in Complex with Hppk Inhibitor Hp-73 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl525 b:37.6 occ:1.00 H A:LEU150 2.4 14.9 1.0 HB2 A:LEU150 3.0 14.1 1.0 O A:TRP140 3.1 13.8 1.0 N A:LEU150 3.2 12.4 1.0 HG A:LEU150 3.2 14.5 1.0 HA A:ASP149 3.3 16.5 1.0 CB A:LEU150 3.6 11.8 1.0 HD12 A:LEU150 3.7 15.4 1.0 O A:TRP148 3.7 13.2 1.0 HA A:HIS141 3.7 13.0 1.0 CG A:LEU150 3.8 12.1 1.0 CE1 A:HIS141 4.0 19.9 1.0 O A:HOH908 4.0 34.2 1.0 CA A:LEU150 4.0 14.1 1.0 H A:ASN151 4.0 16.2 1.0 ND1 A:HIS141 4.1 19.1 1.0 NE2 A:HIS141 4.1 15.8 1.0 C A:TRP140 4.1 13.7 1.0 HE1 A:HIS141 4.1 23.8 1.0 C A:ASP149 4.1 12.2 1.0 CA A:ASP149 4.1 13.7 1.0 CD1 A:LEU150 4.2 12.8 1.0 CG A:HIS141 4.3 12.9 1.0 CD2 A:HIS141 4.4 14.2 1.0 HD1 A:HIS141 4.4 22.9 1.0 HD21 A:LEU134 4.4 17.1 1.0 HD22 A:LEU134 4.5 17.1 1.0 HB3 A:LEU150 4.5 14.1 1.0 HD21 A:ASN151 4.5 46.6 1.0 CA A:HIS141 4.5 10.8 1.0 OD1 A:ASP149 4.6 18.6 1.0 N A:ASN151 4.6 13.5 1.0 O A:HOH743 4.6 13.7 1.0 C A:TRP148 4.7 12.0 1.0 HD11 A:LEU150 4.7 15.4 1.0 N A:HIS141 4.7 13.2 1.0 ND2 A:ASN151 4.7 38.9 1.0 C A:LEU150 4.8 10.6 1.0 HA A:LEU150 4.8 16.9 1.0 HD22 A:ASN151 4.8 46.6 1.0 HD2 A:HIS141 4.8 17.0 1.0 O A:GLY139 4.9 21.6 1.0 CD2 A:LEU134 4.9 14.3 1.0 N A:ASP149 4.9 12.2 1.0 HA2 A:GLY139 5.0 21.5 1.0 C A:GLY139 5.0 26.7 1.0 N A:TRP140 5.0 15.1 1.0 HD13 A:LEU150 5.0 15.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Francisella Tularensis Hppk-Dhps in Complex with Hppk Inhibitor Hp-73


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Francisella Tularensis Hppk-Dhps in Complex with Hppk Inhibitor Hp-73 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl526 b:45.1 occ:1.00 HZ3 A:LYS36 2.4 58.0 1.0 HZ1 A:LYS36 2.9 58.0 1.0 O A:HOH928 2.9 30.5 1.0 CL A:CL524 2.9 23.9 1.0 NZ A:LYS36 3.0 48.4 1.0 HB2 A:LEU167 3.1 11.7 1.0 H A:LEU167 3.1 10.7 1.0 HZ2 A:LYS36 3.2 58.0 1.0 C A:LEU167 3.6 8.3 1.0 N A:ALA168 3.6 9.4 1.0 HB A:THR166 3.6 14.1 1.0 H A:ALA168 3.7 11.2 1.0 N A:LEU167 3.7 8.9 1.0 HB2 A:LYS36 3.7 11.9 1.0 HA A:ALA168 3.8 13.0 1.0 CB A:LEU167 3.8 9.8 1.0 CA A:LEU167 3.9 9.7 1.0 O A:LEU167 4.1 11.1 1.0 HB2 A:ALA168 4.1 16.1 1.0 CA A:ALA168 4.2 10.8 1.0 HB3 A:LEU167 4.3 11.7 1.0 CE A:LYS36 4.3 28.8 1.0 OG1 A:THR166 4.3 13.3 1.0 CB A:THR166 4.4 11.7 1.0 HB3 A:LYS36 4.5 11.9 1.0 HE2 A:LYS36 4.5 34.5 1.0 CB A:LYS36 4.5 9.9 1.0 HD2 A:LYS36 4.6 18.8 1.0 CB A:ALA168 4.7 13.4 1.0 HD12 A:LEU167 4.7 17.2 1.0 O A:ALA37 4.7 9.4 1.0 C A:THR166 4.8 8.4 1.0 O A:LYS36 4.8 11.2 1.0 HA A:LEU167 4.8 11.6 1.0 O A:HOH860 4.9 19.4 1.0 CD A:LYS36 4.9 15.7 1.0

G.X.Shaw, G.Shi, S.Cherry, D.Needle, J.E.Tropea, D.S.Waugh, X.Ji. Crystal Structure of Francisella Tularensis Hppk-Dhps in Complex with Hppk Inhibitor Hp-73 To Be Published.