Chlorine in PDB 4o8m: Crystal Structure of A Trap Periplasmic Solute Binding Protein Actinobacillus Succinogenes 130Z, Target Efi-510004, with Bound L- Galactonate

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein Actinobacillus Succinogenes 130Z, Target Efi-510004, with Bound L- Galactonate, PDB code: 4o8m was solved by M.W.Vetting, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, S.Sojitra, M.Stead, J.D.Attonito, A.Scott Glenn, S.Chowdhury, B.Evans, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Functioninitiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.20 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	97.233, 143.593, 97.458, 90.00, 99.49, 90.00
R / Rfree (%)	18.8 / 23.6

The binding sites of Chlorine atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein Actinobacillus Succinogenes 130Z, Target Efi-510004, with Bound L- Galactonate (pdb code 4o8m). 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 A Trap Periplasmic Solute Binding Protein Actinobacillus Succinogenes 130Z, Target Efi-510004, with Bound L- Galactonate, PDB code: 4o8m:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein Actinobacillus Succinogenes 130Z, Target Efi-510004, with Bound L- Galactonate


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 A Trap Periplasmic Solute Binding Protein Actinobacillus Succinogenes 130Z, Target Efi-510004, with Bound L- Galactonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:37.0 occ:1.00 HD2 A:HIS173 2.5 46.8 1.0 O A:HOH819 2.8 29.7 1.0 HG1 A:THR74 2.9 24.7 0.7 HG23 A:THR74 3.0 21.6 0.7 H A:HIS173 3.1 15.6 1.0 HB2 A:HIS173 3.2 20.4 1.0 HA A:SER192 3.3 14.8 1.0 H A:THR74 3.3 17.8 0.7 H A:THR74 3.3 18.1 0.3 CD2 A:HIS173 3.3 39.0 1.0 HB A:THR74 3.5 16.8 0.3 OG1 A:THR74 3.6 20.6 0.7 OG1 A:THR74 3.6 19.7 0.3 HB3 A:GLU73 3.6 17.9 1.0 O A:HOH589 3.6 25.9 1.0 HB2 A:SER72 3.6 20.5 1.0 OG A:SER192 3.7 23.5 1.0 CG2 A:THR74 3.7 18.0 0.7 HG21 A:THR74 3.8 21.6 0.7 HB2 A:GLN172 3.8 11.3 1.0 O A:HOH708 3.8 30.9 1.0 O A:HOH522 3.9 8.9 1.0 N A:HIS173 3.9 13.0 1.0 CB A:HIS173 3.9 17.0 1.0 CG A:HIS173 4.0 29.6 1.0 H A:GLU73 4.0 21.6 1.0 CB A:THR74 4.1 14.0 0.3 N A:THR74 4.1 14.9 0.7 N A:THR74 4.1 15.0 0.3 CA A:SER192 4.1 12.4 1.0 HG A:SER192 4.1 28.2 1.0 HB3 A:SER192 4.2 21.1 1.0 CB A:THR74 4.2 13.3 0.7 CB A:SER192 4.3 17.6 1.0 HG1 A:THR74 4.3 23.7 0.3 HG A:SER72 4.4 20.6 1.0 N A:GLU73 4.5 18.0 1.0 CB A:GLU73 4.5 14.9 1.0 CA A:HIS173 4.5 13.7 1.0 CB A:SER72 4.5 17.1 1.0 HA A:GLN172 4.5 11.6 1.0 HG22 A:THR74 4.5 21.6 0.7 NE2 A:HIS173 4.5 40.1 1.0 H A:LEU193 4.6 12.5 1.0 O A:HOH586 4.7 25.3 1.0 OG A:SER72 4.7 17.2 1.0 HB2 A:GLU73 4.7 17.9 1.0 N A:SER192 4.7 12.2 1.0 HB3 A:HIS173 4.7 20.4 1.0 CB A:GLN172 4.7 9.4 1.0 CA A:THR74 4.7 14.1 0.3 CA A:THR74 4.8 14.3 0.7 HE2 A:HIS173 4.8 48.1 1.0 O A:MET191 4.8 11.5 1.0 CA A:GLU73 4.9 18.0 1.0 C A:GLN172 4.9 12.2 1.0 CA A:GLN172 5.0 9.6 1.0 HH21 A:ARG170 5.0 15.2 1.0 C A:GLU73 5.0 16.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein Actinobacillus Succinogenes 130Z, Target Efi-510004, with Bound L- Galactonate


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 A Trap Periplasmic Solute Binding Protein Actinobacillus Succinogenes 130Z, Target Efi-510004, with Bound L- Galactonate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:35.1 occ:1.00 HD2 B:HIS173 2.4 35.4 1.0 HG1 B:THR74 2.8 17.6 0.6 HG B:SER192 2.9 22.6 1.0 HG23 B:THR74 3.1 20.6 0.6 O B:HOH876 3.2 25.7 1.0 HB2 B:HIS173 3.2 16.0 1.0 HA B:SER192 3.2 12.8 1.0 H B:THR74 3.2 12.8 0.5 H B:THR74 3.3 12.7 0.6 CD2 B:HIS173 3.3 29.5 1.0 H B:HIS173 3.4 11.3 1.0 OG B:SER192 3.4 18.8 1.0 HB2 B:SER72 3.4 15.2 1.0 HB B:THR74 3.5 16.8 0.5 OG1 B:THR74 3.6 14.7 0.6 OG1 B:THR74 3.6 16.0 0.5 O B:HOH586 3.7 16.1 1.0 HB3 B:GLU73 3.8 10.3 1.0 CG2 B:THR74 3.8 17.2 0.6 HG21 B:THR74 3.9 20.6 0.6 H B:GLU73 3.9 17.9 1.0 CG B:HIS173 4.0 21.0 1.0 O B:HOH798 4.0 25.4 1.0 CB B:HIS173 4.0 13.3 1.0 N B:THR74 4.0 10.7 0.5 CB B:THR74 4.0 14.0 0.5 N B:THR74 4.0 10.6 0.6 CA B:SER192 4.1 10.6 1.0 HB2 B:GLN172 4.1 10.6 1.0 HG B:SER72 4.1 19.5 1.0 O B:HOH522 4.2 8.2 1.0 CB B:SER192 4.2 10.4 1.0 CB B:THR74 4.2 13.8 0.6 N B:HIS173 4.2 9.4 1.0 CB B:SER72 4.3 12.6 1.0 HB3 B:SER192 4.3 12.4 1.0 HG1 B:THR74 4.3 19.2 0.5 N B:GLU73 4.4 14.9 1.0 OG B:SER72 4.4 16.2 1.0 NE2 B:HIS173 4.4 29.0 1.0 O B:HOH604 4.5 16.3 1.0 CB B:GLU73 4.5 8.6 1.0 H B:LEU193 4.5 11.8 1.0 HB2 B:GLU73 4.5 10.3 1.0 HG22 B:THR74 4.6 20.6 0.6 HE2 B:HIS173 4.6 34.8 1.0 CA B:THR74 4.7 12.7 0.5 N B:SER192 4.7 12.5 1.0 HB3 B:HIS173 4.7 16.0 1.0 CA B:THR74 4.8 13.2 0.6 CA B:HIS173 4.8 17.3 1.0 HA B:GLN172 4.8 10.7 1.0 CA B:GLU73 4.8 15.1 1.0 HB3 B:SER72 4.9 15.2 1.0 C B:GLU73 4.9 13.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein Actinobacillus Succinogenes 130Z, Target Efi-510004, with Bound L- Galactonate


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 A Trap Periplasmic Solute Binding Protein Actinobacillus Succinogenes 130Z, Target Efi-510004, with Bound L- Galactonate within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:26.1 occ:1.00 HG D:SER174 1.9 14.1 1.0 HA3 D:GLY93 2.5 8.3 1.0 OD2 D:ASP91 2.6 14.4 1.0 OG D:SER174 2.7 11.8 1.0 O D:HOH518 2.9 12.4 1.0 HB3 D:LEU176 2.9 9.7 1.0 HD23 D:LEU176 2.9 13.6 1.0 CE2 D:PHE177 3.1 10.3 1.0 CD2 D:PHE177 3.1 17.5 1.0 H D:GLY93 3.3 8.1 1.0 CZ D:PHE177 3.4 8.0 1.0 CA D:GLY93 3.4 6.9 1.0 HB2 D:SER174 3.4 12.8 1.0 CG D:PHE177 3.4 13.1 1.0 HE2 D:PHE177 3.4 12.3 1.0 HD2 D:PHE177 3.5 21.0 1.0 CB D:SER174 3.5 10.7 1.0 CG D:ASP91 3.5 8.5 1.0 OD1 D:ASP91 3.6 9.1 1.0 CE1 D:PHE177 3.6 20.0 1.0 H D:PHE177 3.6 10.5 1.0 CD1 D:PHE177 3.6 16.2 1.0 HB3 D:SER174 3.7 12.8 1.0 N D:GLY93 3.8 6.7 1.0 CB D:LEU176 3.8 8.1 1.0 HZ D:PHE177 3.8 9.5 1.0 CD2 D:LEU176 3.8 11.3 1.0 H D:ALA94 4.0 12.1 1.0 HA2 D:GLY93 4.0 8.3 1.0 HG D:LEU176 4.1 9.8 1.0 HB2 D:PHE177 4.1 12.9 1.0 N D:PHE177 4.2 8.7 1.0 CG D:LEU176 4.2 8.2 1.0 HD22 D:LEU176 4.2 13.6 1.0 C D:GLY93 4.2 10.2 1.0 HE1 D:PHE177 4.2 24.0 1.0 HB2 D:LEU176 4.2 9.7 1.0 HD1 D:PHE177 4.2 19.4 1.0 CB D:PHE177 4.3 10.7 1.0 N D:ALA94 4.3 10.1 1.0 HE1 D:HIS235 4.4 12.0 1.0 HD21 D:LEU176 4.5 13.6 1.0 H D:LEU176 4.7 10.0 0.5 HB2 D:ASN106 4.8 9.9 1.0 CA D:PHE177 4.8 10.1 1.0 CA D:LEU176 4.8 7.7 1.0 C D:LEU176 4.9 7.6 1.0 CA D:SER174 4.9 10.2 1.0 CB D:ASP91 4.9 7.4 1.0 CD D:GLN172 5.0 7.5 1.0 O D:HOH551 5.0 13.8 1.0

M.W.Vetting, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, S.Sojitra, M.Stead, J.D.Attonito, A.Scott Glenn, S.Chowdhury, B.Evans, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of A Trap Periplasmic Solute Binding Protein Actinobacillus Succinogenes 130Z, Target Efi-510004, with Bound L-Galactonate To Be Published.