Chlorine in PDB 4x9t: Crystal Structure of A Tctc Solute Binding Protein From Polaromonas (BPRO_3516, Target Efi-510338), No Ligand

The structure of Crystal Structure of A Tctc Solute Binding Protein From Polaromonas (BPRO_3516, Target Efi-510338), No Ligand, PDB code: 4x9t was solved by U.Yadava, M.W.Vetting, N.F.Al Obaidi, R.Toro, L.L.Morisco, J.Benach, S.R.Wasserman, J.D.Attonito, A.Scott Glenn, S.Chamala, S.Chowdhury, J.Lafleur, J.Love, R.D.Seidel, K.L.Whalen, J.A.Gerlt, S.C.Almo, Enzymefunction Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.81 / 1.24
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	31.976, 79.244, 111.583, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 19

The binding sites of Chlorine atom in the Crystal Structure of A Tctc Solute Binding Protein From Polaromonas (BPRO_3516, Target Efi-510338), No Ligand (pdb code 4x9t). 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 Tctc Solute Binding Protein From Polaromonas (BPRO_3516, Target Efi-510338), No Ligand, PDB code: 4x9t:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A Tctc Solute Binding Protein From Polaromonas (BPRO_3516, Target Efi-510338), No Ligand


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 Tctc Solute Binding Protein From Polaromonas (BPRO_3516, Target Efi-510338), No Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:14.9 occ:0.95 O A:HOH569 3.2 17.3 1.0 O A:HOH521 3.2 15.7 1.0 N A:GLY293 3.3 16.1 1.0 CB A:GLU292 3.5 15.3 1.0 CB A:ARG265 3.7 13.5 1.0 CA A:GLU292 3.7 14.7 1.0 CD A:ARG265 3.7 14.1 1.0 CG A:ARG265 3.8 13.5 1.0 CG A:GLU292 3.9 16.9 1.0 C A:GLU292 4.0 12.8 1.0 O A:ILE117 4.0 14.3 1.0 OH A:TYR290 4.2 15.8 1.0 CA A:GLY293 4.3 16.5 1.0 CD A:GLU292 4.4 18.0 1.0 NE A:ARG265 4.5 15.1 1.0 CA A:ARG265 4.5 13.6 1.0 O A:ARG265 4.6 14.7 1.0 O A:HOH529 4.7 18.1 1.0 OE2 A:GLU292 4.7 19.2 1.0 C A:ARG265 4.8 14.1 1.0 OE1 A:GLU292 5.0 17.6 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Tctc Solute Binding Protein From Polaromonas (BPRO_3516, Target Efi-510338), No Ligand


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 Tctc Solute Binding Protein From Polaromonas (BPRO_3516, Target Efi-510338), No Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:19.7 occ:0.63 O A:HOH659 2.8 17.2 1.0 O A:PRO124 2.9 13.8 1.0 N A:ALA204 2.9 15.0 1.0 N A:ALA203 3.2 14.3 1.0 C A:ASP123 3.3 12.4 1.0 N A:PRO124 3.3 12.9 1.0 CB A:SER202 3.4 16.1 1.0 CA A:ASP123 3.4 13.2 1.0 CB A:ASP123 3.4 14.8 1.0 CD A:PRO124 3.5 13.7 1.0 CB A:ALA203 3.6 15.5 1.0 CB A:ALA204 3.6 17.4 1.0 CA A:ALA203 3.6 13.8 1.0 C A:ALA203 3.7 15.2 1.0 C A:SER202 3.8 14.5 1.0 C A:PRO124 3.8 14.1 1.0 CA A:ALA204 3.8 14.8 1.0 O A:ASP123 3.9 14.3 1.0 CA A:SER202 4.0 14.7 1.0 OD1 A:ASP123 4.0 16.1 1.0 OG A:SER202 4.0 16.8 1.0 CG A:PRO124 4.1 20.7 1.0 CA A:PRO124 4.1 13.4 1.0 CG A:ASP123 4.2 14.0 1.0 O A:HOH668 4.6 19.9 1.0 CB A:PRO124 4.7 13.6 1.0 CD1 A:ILE226 4.8 23.2 1.0 O A:SER202 4.8 15.5 1.0 N A:ASP123 4.9 14.3 1.0 O A:ALA203 4.9 15.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Tctc Solute Binding Protein From Polaromonas (BPRO_3516, Target Efi-510338), No Ligand


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 Tctc Solute Binding Protein From Polaromonas (BPRO_3516, Target Efi-510338), No Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:42.1 occ:1.00 OG1 A:THR45 3.0 20.9 1.0 O A:HOH837 3.3 28.1 1.0 N A:THR45 3.5 18.0 1.0 NH2 A:ARG248 3.6 20.6 1.0 CB A:THR45 3.8 18.9 1.0 N A:GLY44 4.0 21.9 1.0 CD2 A:TYR39 4.0 19.4 1.0 CE2 A:TYR39 4.2 19.4 1.0 CA A:THR45 4.2 17.4 1.0 CA A:GLY44 4.2 22.3 1.0 C A:GLY44 4.3 20.4 1.0 O A:HOH745 4.4 33.0 1.0 O A:HOH681 4.5 20.7 1.0 CZ A:ARG248 4.7 17.2 1.0 O A:HOH859 4.7 37.2 1.0 CG A:TYR39 4.7 17.9 1.0 NE A:ARG248 4.8 18.3 1.0 O A:HOH773 4.8 32.2 1.0 C A:GLY43 4.9 22.1 1.0 CZ A:TYR39 5.0 19.9 1.0

U.Yadava, M.W.Vetting, N.F.Al Obaidi, R.Toro, L.L.Morisco, J.Benach, S.R.Wasserman, J.D.Attonito, A.Scott Glenn, S.Chamala, S.Chowdhury, J.Lafleur, J.Love, R.D.Seidel, K.L.Whalen, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of A Tctc Solute Binding Protein From Polaromonas (BPRO_3516, Target Efi-510338), No Ligand To Be Published.