Chlorine in PDB 4mij: Crystal Structure of A Trap Periplasmic Solute Binding Protein From Polaromonas Sp. JS666 (BPRO_3107), Target Efi-510173, with Bound Alpha/Beta D-Galacturonate, Space Group P21

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Polaromonas Sp. JS666 (BPRO_3107), Target Efi-510173, with Bound Alpha/Beta D-Galacturonate, Space Group P21, PDB code: 4mij was solved by M.W.Vetting, R.Toro, R.Bhosle, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, S.Sojitra, S.Zhao, M.Stead, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, M.P.Jacobson, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.66 / 1.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.534, 46.140, 63.897, 90.00, 97.56, 90.00
R / Rfree (%)	13.8 / 15.2

The binding sites of Chlorine atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Polaromonas Sp. JS666 (BPRO_3107), Target Efi-510173, with Bound Alpha/Beta D-Galacturonate, Space Group P21 (pdb code 4mij). 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 From Polaromonas Sp. JS666 (BPRO_3107), Target Efi-510173, with Bound Alpha/Beta D-Galacturonate, Space Group P21, PDB code: 4mij:
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 From Polaromonas Sp. JS666 (BPRO_3107), Target Efi-510173, with Bound Alpha/Beta D-Galacturonate, Space Group P21


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 Polaromonas Sp. JS666 (BPRO_3107), Target Efi-510173, with Bound Alpha/Beta D-Galacturonate, Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:16.0 occ:1.00 H A:VAL69 2.4 10.9 1.0 HE2 A:LYS51 2.8 20.9 1.0 O A:HOH665 3.0 16.7 1.0 HA A:LYS68 3.1 11.9 1.0 O A:HOH922 3.1 34.9 1.0 N A:VAL69 3.3 9.1 1.0 HG2 A:LYS51 3.4 12.4 1.0 HG3 A:LYS68 3.4 18.0 1.0 HB A:VAL69 3.4 11.2 1.0 CE A:LYS51 3.8 17.4 1.0 CA A:LYS68 3.9 9.9 1.0 HG23 A:VAL69 3.9 14.2 1.0 O A:VAL69 4.0 10.9 1.0 HE3 A:LYS51 4.1 20.9 1.0 C A:LYS68 4.1 8.8 1.0 CB A:VAL69 4.1 9.3 1.0 CA A:VAL69 4.1 8.7 1.0 CG A:LYS68 4.2 15.0 1.0 CG A:LYS51 4.2 10.3 1.0 HZ3 A:LYS68 4.2 37.3 1.0 HG2 A:LYS68 4.3 18.0 1.0 HD3 A:LYS51 4.3 16.9 1.0 CD A:LYS51 4.4 14.1 1.0 O A:ILE67 4.4 12.9 1.0 CG2 A:VAL69 4.5 11.8 1.0 C A:VAL69 4.5 9.0 1.0 HG3 A:LYS51 4.6 12.4 1.0 CB A:LYS68 4.6 10.8 1.0 NZ A:LYS51 4.7 29.5 1.0 O A:HOH753 4.8 23.8 1.0 HZ1 A:LYS51 4.8 35.4 1.0 HZ3 A:LYS51 4.8 35.4 1.0 HG21 A:VAL69 4.9 14.2 1.0 HB2 A:LYS68 5.0 13.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Polaromonas Sp. JS666 (BPRO_3107), Target Efi-510173, with Bound Alpha/Beta D-Galacturonate, Space Group P21


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 Polaromonas Sp. JS666 (BPRO_3107), Target Efi-510173, with Bound Alpha/Beta D-Galacturonate, Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:12.6 occ:1.00 H A:GLU78 2.4 10.5 1.0 HG3 A:GLU78 2.7 10.0 1.0 O A:HOH572 2.8 16.0 1.0 OG1 A:THR38 2.9 13.1 1.0 HA A:SER77 2.9 12.7 1.0 O A:HOH523 2.9 9.9 1.0 HB3 A:TYR197 3.1 10.4 1.0 N A:GLU78 3.2 8.8 1.0 HB2 A:SER77 3.2 12.7 1.0 HB A:THR38 3.4 9.7 1.0 HG1 A:THR38 3.5 15.7 1.0 CA A:SER77 3.6 10.6 1.0 CG A:GLU78 3.6 8.3 1.0 CB A:THR38 3.7 8.1 1.0 H A:TYR197 3.7 10.0 1.0 HE22 A:GLN73 3.7 20.6 1.0 CB A:SER77 3.8 10.6 1.0 HG2 A:GLU78 3.8 10.0 1.0 C A:SER77 3.8 9.3 1.0 H A:GLY198 3.9 11.8 1.0 O A:HOH735 3.9 25.0 1.0 HB2 A:GLU78 3.9 10.3 1.0 HG21 A:THR38 3.9 11.8 1.0 CB A:TYR197 4.0 8.6 1.0 NE2 A:GLN73 4.0 17.1 1.0 HB2 A:TYR197 4.0 10.4 1.0 HE21 A:GLN73 4.0 20.6 1.0 CB A:GLU78 4.1 8.6 1.0 CA A:GLU78 4.2 8.9 1.0 HD2 A:TYR197 4.2 10.8 1.0 HB3 A:SER77 4.2 12.7 1.0 O A:HOH542 4.2 11.7 1.0 N A:TYR197 4.3 8.3 1.0 CG2 A:THR38 4.4 9.8 1.0 HB3 A:GLN73 4.5 19.1 1.0 N A:GLY198 4.5 9.8 1.0 HB2 A:GLN73 4.6 19.1 1.0 HA A:GLU78 4.6 10.7 1.0 CD A:GLU78 4.6 7.6 1.0 HB3 A:PRO196 4.7 15.9 1.0 CD A:GLN73 4.7 20.6 1.0 CA A:TYR197 4.7 9.1 1.0 HA A:THR38 4.8 9.5 1.0 N A:SER77 4.9 10.6 1.0 HG23 A:THR38 4.9 11.8 1.0 CA A:THR38 4.9 7.9 1.0 HB2 A:PRO196 4.9 15.9 1.0 CD2 A:TYR197 4.9 9.0 1.0 O A:HOH518 5.0 9.9 1.0 CG A:TYR197 5.0 7.8 1.0 H A:LYS79 5.0 10.6 1.0 CB A:GLN73 5.0 15.9 1.0 O A:GLY76 5.0 11.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Polaromonas Sp. JS666 (BPRO_3107), Target Efi-510173, with Bound Alpha/Beta D-Galacturonate, Space Group P21


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 Polaromonas Sp. JS666 (BPRO_3107), Target Efi-510173, with Bound Alpha/Beta D-Galacturonate, Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:16.3 occ:1.00 H A:GLU213 2.2 9.4 1.0 HH11 A:ARG174 2.3 10.1 1.0 HD3 A:ARG174 2.6 8.9 1.0 OE1 A:GLU213 2.8 7.7 1.0 HB1 A:ALA212 2.8 10.0 1.0 O A:ARG174 2.8 8.4 1.0 HG3 A:GLU213 2.9 9.3 1.0 O A:GLU213 2.9 7.4 1.0 N A:GLU213 3.0 7.8 1.0 HD2 A:ARG174 3.0 8.9 1.0 NH1 A:ARG174 3.0 8.4 1.0 HA A:VAL175 3.1 9.5 1.0 O A:HOH511 3.2 8.5 1.0 CD A:ARG174 3.2 7.5 1.0 HH21 A:ARG154 3.4 9.3 1.0 HH12 A:ARG174 3.5 10.1 1.0 CD A:GLU213 3.5 7.7 1.0 CG A:GLU213 3.6 7.8 1.0 C A:ARG174 3.6 8.1 1.0 HA A:ALA212 3.6 9.1 1.0 CB A:ALA212 3.7 8.4 1.0 C A:GLU213 3.7 6.7 1.0 CA A:GLU213 3.8 7.4 1.0 C A:ALA212 3.9 7.6 1.0 HB3 A:ARG174 3.9 11.0 1.0 CA A:VAL175 3.9 7.9 1.0 CA A:ALA212 3.9 7.6 1.0 CZ A:ARG174 4.0 8.2 1.0 NH2 A:ARG154 4.0 7.8 1.0 NE A:ARG174 4.0 7.8 1.0 HH22 A:ARG154 4.1 9.3 1.0 HB2 A:ALA212 4.1 10.0 1.0 N A:VAL175 4.2 8.4 1.0 CB A:GLU213 4.2 7.1 1.0 HB3 A:ALA212 4.3 10.0 1.0 O A:HOH504 4.4 8.7 1.0 HG2 A:GLU213 4.4 9.3 1.0 H A:GLN176 4.4 9.3 1.0 CG A:ARG174 4.4 8.7 1.0 CB A:ARG174 4.5 9.1 1.0 C A:VAL175 4.5 7.9 1.0 HD21 A:ASN214 4.5 8.6 1.0 HG12 A:VAL175 4.5 12.1 1.0 HH A:TYR157 4.6 11.2 1.0 OE2 A:GLU213 4.6 7.7 1.0 CA A:ARG174 4.6 8.5 1.0 HG3 A:GLN176 4.7 10.2 1.0 HB2 A:ASN214 4.7 8.1 1.0 HA A:GLU213 4.7 8.8 1.0 N A:GLN176 4.7 7.7 1.0 HG12 A:ILE173 4.8 13.1 1.0 HE A:ARG174 4.8 9.3 1.0 HB3 A:GLU213 4.8 8.6 1.0 O62 A:GTR405 4.8 7.3 0.5 O6A A:ADA406 4.8 7.3 0.5 HG2 A:ARG174 4.9 10.5 1.0 HG21 A:VAL200 4.9 11.8 1.0 HB2 A:GLU213 4.9 8.6 1.0 H A:VAL175 5.0 10.1 1.0

M.W.Vetting, R.Toro, R.Bhosle, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, S.Sojitra, S.Zhao, M.Stead, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, M.P.Jacobson, J.A.Gerlt, S.C.Almo. Crystal Structure of A Trap Periplasmic Solute Binding Protein From Polaromonas Sp. JS666 (BPRO_3107), Target Efi-510173, with Bound Alpha/Beta D-Galacturonate, Space Group P21 To Be Published.