Chlorine in PDB 4n8g: Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0660), Target Efi-501075, with Bound D-Alanine-D-Alanine

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0660), Target Efi-501075, with Bound D-Alanine-D-Alanine, PDB code: 4n8g 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)	30.87 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.536, 67.964, 276.012, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 18.1

The binding sites of Chlorine atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0660), Target Efi-501075, with Bound D-Alanine-D-Alanine (pdb code 4n8g). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0660), Target Efi-501075, with Bound D-Alanine-D-Alanine, PDB code: 4n8g:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0660), Target Efi-501075, with Bound D-Alanine-D-Alanine


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 From Chromohalobacter Salexigens Dsm 3043 (CSAL_0660), Target Efi-501075, with Bound D-Alanine-D-Alanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:11.9 occ:1.00 H A:GLY154 2.3 14.4 1.0 H A:MSE219 2.5 13.7 1.0 HB2 A:MSE219 2.8 14.3 1.0 HD2 A:PRO218 2.8 13.1 1.0 HB2 A:PRO218 2.9 13.5 1.0 HG22 A:VAL282 3.0 14.6 1.0 HB2 A:PRO217 3.1 14.6 1.0 HA2 A:GLY153 3.1 14.6 1.0 O A:HOH511 3.2 12.2 1.0 N A:GLY154 3.2 12.0 1.0 N A:MSE219 3.2 11.4 1.0 HD3 A:ARG285 3.4 14.2 1.0 HA A:VAL282 3.6 14.2 1.0 CD A:PRO218 3.6 10.9 1.0 CB A:PRO218 3.7 11.2 1.0 CB A:MSE219 3.7 11.9 1.0 CA A:GLY153 3.8 12.1 1.0 HA3 A:GLY153 3.8 14.6 1.0 N A:PRO218 3.8 10.8 1.0 HG2 A:PRO218 3.8 13.3 1.0 HD2 A:ARG285 3.9 14.2 1.0 HG13 A:VAL282 3.9 18.8 1.0 HA3 A:GLY154 3.9 15.0 1.0 CG A:PRO218 4.0 11.1 1.0 C A:GLY153 4.0 12.2 1.0 CA A:MSE219 4.0 11.7 1.0 CG2 A:VAL282 4.0 12.2 1.0 C A:PRO218 4.0 11.2 1.0 CA A:PRO218 4.1 11.0 1.0 CB A:PRO217 4.1 12.1 1.0 HG13 A:VAL278 4.1 16.1 1.0 CD A:ARG285 4.1 11.8 1.0 HB3 A:MSE219 4.1 14.3 1.0 CA A:GLY154 4.1 12.5 1.0 HA A:MSE219 4.2 14.1 1.0 HB2 A:ARG285 4.2 12.3 1.0 HH11 A:ARG285 4.3 17.2 1.0 HG23 A:VAL282 4.4 14.6 1.0 HD3 A:PRO218 4.4 13.1 1.0 HB3 A:PRO217 4.4 14.6 1.0 C A:PRO217 4.4 10.7 1.0 CA A:VAL282 4.5 11.8 1.0 HB3 A:PRO218 4.5 13.5 1.0 HG21 A:VAL282 4.5 14.6 1.0 HB3 A:ARG285 4.6 12.3 1.0 CB A:VAL282 4.6 11.8 1.0 O A:HOH519 4.6 15.5 1.0 CG1 A:VAL282 4.7 15.6 1.0 CG A:MSE219 4.7 12.4 1.0 HG2 A:MSE219 4.8 14.9 1.0 HG2 A:PRO217 4.8 13.2 1.0 CB A:ARG285 4.8 10.2 1.0 CA A:PRO217 4.8 10.6 1.0 HG3 A:MSE219 4.8 14.9 1.0 HA2 A:GLY154 4.8 15.0 1.0 HG3 A:PRO218 4.9 13.3 1.0 NH1 A:ARG285 4.9 14.3 1.0 CG A:PRO217 4.9 11.0 1.0 CG1 A:VAL278 5.0 13.4 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0660), Target Efi-501075, with Bound D-Alanine-D-Alanine


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 From Chromohalobacter Salexigens Dsm 3043 (CSAL_0660), Target Efi-501075, with Bound D-Alanine-D-Alanine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:12.6 occ:1.00 H B:GLY154 2.3 14.1 1.0 H B:MSE219 2.5 13.7 1.0 HB2 B:MSE219 2.9 14.3 1.0 HD2 B:PRO218 2.9 14.8 1.0 HG22 B:VAL282 2.9 17.8 1.0 HB2 B:PRO218 3.0 14.3 1.0 HB2 B:PRO217 3.0 12.7 1.0 O B:HOH509 3.1 12.9 1.0 N B:GLY154 3.2 11.7 1.0 HA2 B:GLY153 3.2 14.1 1.0 N B:MSE219 3.2 11.4 1.0 HD3 B:ARG285 3.5 17.6 1.0 HA B:VAL282 3.6 14.6 1.0 CD B:PRO218 3.6 12.3 1.0 CB B:PRO218 3.7 11.9 1.0 CB B:MSE219 3.7 11.9 1.0 N B:PRO218 3.8 11.0 1.0 CA B:GLY153 3.8 11.7 1.0 HA3 B:GLY153 3.8 14.1 1.0 HG2 B:PRO218 3.8 14.5 1.0 HD2 B:ARG285 3.8 17.6 1.0 CG2 B:VAL282 3.9 14.8 1.0 HA3 B:GLY154 3.9 15.3 1.0 CB B:PRO217 4.0 10.6 1.0 CG B:PRO218 4.0 12.1 1.0 CA B:MSE219 4.0 11.4 1.0 C B:GLY153 4.0 11.7 1.0 HG13 B:VAL282 4.0 18.7 1.0 C B:PRO218 4.0 11.4 1.0 CA B:PRO218 4.1 11.3 1.0 CD B:ARG285 4.1 14.7 1.0 CA B:GLY154 4.1 12.8 1.0 HG13 B:VAL278 4.1 16.4 1.0 HA B:MSE219 4.2 13.7 1.0 HG23 B:VAL282 4.2 17.8 1.0 HB3 B:MSE219 4.2 14.3 1.0 HH11 B:ARG285 4.2 16.9 1.0 HB2 B:ARG285 4.3 16.0 1.0 HB3 B:PRO217 4.3 12.7 1.0 C B:PRO217 4.4 10.9 1.0 HG21 B:VAL282 4.4 17.8 1.0 HD3 B:PRO218 4.4 14.8 1.0 CA B:VAL282 4.5 12.2 1.0 HB3 B:PRO218 4.5 14.3 1.0 O B:HOH534 4.6 15.5 1.0 CB B:VAL282 4.6 13.3 1.0 HG2 B:PRO217 4.6 12.6 1.0 HB3 B:ARG285 4.7 16.0 1.0 CA B:PRO217 4.7 10.6 1.0 HG2 B:MSE219 4.7 15.7 1.0 CG B:MSE219 4.7 13.1 1.0 CG1 B:VAL282 4.8 15.6 1.0 HG3 B:MSE219 4.8 15.7 1.0 HA2 B:GLY154 4.8 15.3 1.0 CG B:PRO217 4.8 10.5 1.0 CB B:ARG285 4.9 13.3 1.0 NH1 B:ARG285 4.9 14.1 1.0 HG3 B:PRO218 4.9 14.5 1.0 HA B:PRO217 4.9 12.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0660), Target Efi-501075, with Bound D-Alanine-D-Alanine


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 From Chromohalobacter Salexigens Dsm 3043 (CSAL_0660), Target Efi-501075, with Bound D-Alanine-D-Alanine within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:13.7 occ:1.00 H C:GLY154 2.3 16.5 1.0 H C:MSE219 2.5 15.0 1.0 HB2 C:MSE219 2.8 18.5 1.0 HD2 C:PRO218 2.8 17.4 1.0 HB2 C:PRO217 3.0 16.8 1.0 HB2 C:PRO218 3.0 15.7 1.0 HG22 C:VAL282 3.1 21.2 1.0 O C:HOH522 3.1 15.2 1.0 N C:GLY154 3.2 13.7 1.0 HA2 C:GLY153 3.2 16.3 1.0 N C:MSE219 3.2 12.5 1.0 HD3 C:ARG285 3.4 19.8 1.0 CD C:PRO218 3.6 14.5 1.0 HA C:VAL282 3.6 26.0 1.0 CB C:MSE219 3.7 15.4 1.0 HD2 C:ARG285 3.8 19.8 1.0 CB C:PRO218 3.8 13.1 1.0 HA3 C:GLY153 3.8 16.3 1.0 CA C:GLY153 3.8 13.6 1.0 HG2 C:PRO218 3.8 17.9 1.0 N C:PRO218 3.8 13.8 1.0 HA3 C:GLY154 3.8 18.9 1.0 CG C:PRO218 4.0 14.9 1.0 CB C:PRO217 4.0 14.0 1.0 C C:GLY153 4.0 13.8 1.0 CA C:MSE219 4.0 12.8 1.0 CG2 C:VAL282 4.0 17.7 1.0 CD C:ARG285 4.1 16.5 1.0 HG13 C:VAL278 4.1 24.8 1.0 C C:PRO218 4.1 12.3 1.0 CA C:GLY154 4.1 15.7 1.0 HH11 C:ARG285 4.1 19.7 1.0 CA C:PRO218 4.1 12.2 1.0 HG13 C:VAL282 4.2 25.1 1.0 HA C:MSE219 4.2 15.3 1.0 HB3 C:MSE219 4.2 18.5 1.0 HB2 C:ARG285 4.3 20.6 1.0 HG23 C:VAL282 4.3 21.2 1.0 HB3 C:PRO217 4.3 16.8 1.0 C C:PRO217 4.4 12.9 1.0 HD3 C:PRO218 4.4 17.4 1.0 CA C:VAL282 4.5 21.6 1.0 HG21 C:VAL282 4.6 21.2 1.0 O C:HOH547 4.6 16.3 1.0 HB3 C:PRO218 4.6 15.7 1.0 HG2 C:PRO217 4.6 16.0 1.0 HG2 C:MSE219 4.7 22.3 1.0 CG C:MSE219 4.7 18.6 1.0 HB3 C:ARG285 4.7 20.6 1.0 CB C:VAL282 4.7 18.9 1.0 CA C:PRO217 4.7 12.9 1.0 HG3 C:MSE219 4.7 22.3 1.0 HA2 C:GLY154 4.8 18.9 1.0 NH1 C:ARG285 4.8 16.4 1.0 CG C:PRO217 4.8 13.3 1.0 CB C:ARG285 4.8 17.1 1.0 CG1 C:VAL282 4.9 20.9 1.0 HG3 C:PRO218 4.9 17.9 1.0 CG1 C:VAL278 5.0 20.7 1.0 HA C:PRO217 5.0 15.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0660), Target Efi-501075, with Bound D-Alanine-D-Alanine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0660), Target Efi-501075, with Bound D-Alanine-D-Alanine within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:13.3 occ:1.00 H D:GLY154 2.3 14.6 1.0 H D:MSE219 2.6 14.6 1.0 HD2 D:PRO218 2.8 14.5 1.0 HB2 D:MSE219 2.8 14.1 1.0 HB2 D:PRO218 3.0 15.7 1.0 HB2 D:PRO217 3.1 15.2 1.0 HG22 D:VAL282 3.1 19.6 1.0 O D:HOH553 3.2 15.5 1.0 N D:GLY154 3.2 12.2 1.0 HA2 D:GLY153 3.2 16.4 1.0 N D:MSE219 3.3 12.2 1.0 HD3 D:ARG285 3.4 17.8 1.0 CD D:PRO218 3.6 12.1 1.0 HA D:VAL282 3.7 19.5 1.0 CB D:MSE219 3.7 11.7 1.0 CB D:PRO218 3.7 13.1 1.0 HA3 D:GLY153 3.7 16.4 1.0 CA D:GLY153 3.8 13.7 1.0 HD2 D:ARG285 3.8 17.8 1.0 N D:PRO218 3.8 12.2 1.0 HA3 D:GLY154 3.9 14.4 1.0 HG2 D:PRO218 3.9 14.7 1.0 C D:GLY153 3.9 12.2 1.0 HG13 D:VAL282 3.9 21.0 1.0 CA D:MSE219 4.0 10.6 1.0 CG D:PRO218 4.0 12.2 1.0 CB D:PRO217 4.0 12.6 1.0 HG13 D:VAL278 4.0 17.3 1.0 CG2 D:VAL282 4.0 16.4 1.0 CD D:ARG285 4.1 14.8 1.0 C D:PRO218 4.1 11.1 1.0 CA D:PRO218 4.1 10.9 1.0 CA D:GLY154 4.1 12.0 1.0 HH11 D:ARG285 4.1 18.7 1.0 HA D:MSE219 4.2 12.7 1.0 HB3 D:MSE219 4.2 14.1 1.0 HB2 D:ARG285 4.3 14.6 1.0 HD3 D:PRO218 4.4 14.5 1.0 HB3 D:PRO217 4.4 15.2 1.0 C D:PRO217 4.4 11.8 1.0 HG23 D:VAL282 4.4 19.6 1.0 O D:HOH525 4.5 16.6 1.0 CA D:VAL282 4.5 16.2 1.0 HB3 D:PRO218 4.6 15.7 1.0 HG21 D:VAL282 4.6 19.6 1.0 HG2 D:PRO217 4.6 13.9 1.0 HB3 D:ARG285 4.7 14.6 1.0 CB D:VAL282 4.7 17.3 1.0 CG1 D:VAL282 4.7 17.5 1.0 CG D:MSE219 4.7 13.2 1.0 HG2 D:MSE219 4.7 15.9 1.0 CA D:PRO217 4.7 12.1 1.0 HG3 D:MSE219 4.8 15.9 1.0 HA2 D:GLY154 4.8 14.4 1.0 NH1 D:ARG285 4.8 15.6 1.0 CG D:PRO217 4.9 11.6 1.0 CB D:ARG285 4.9 12.1 1.0 CG1 D:VAL278 4.9 14.4 1.0 HA D:PRO217 5.0 14.6 1.0 HG3 D:PRO218 5.0 14.7 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. Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0660), Target Efi-501075, with Bound D-Alanine-D-Alanine To Be Published.