Chlorine in PDB 4lpq: Crystal Structure of the L,D-Transpeptidase (Residues 123-326) From Xylanimonas Cellulosilytica Dsm 15894

The structure of Crystal Structure of the L,D-Transpeptidase (Residues 123-326) From Xylanimonas Cellulosilytica Dsm 15894, PDB code: 4lpq was solved by B.Nocek, L.Bigelow, M.Endres, G.Babnigg, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.61 / 1.37
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.849, 62.849, 167.210, 90.00, 90.00, 90.00
R / Rfree (%)	12.2 / 14.6

The binding sites of Chlorine atom in the Crystal Structure of the L,D-Transpeptidase (Residues 123-326) From Xylanimonas Cellulosilytica Dsm 15894 (pdb code 4lpq). 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 the L,D-Transpeptidase (Residues 123-326) From Xylanimonas Cellulosilytica Dsm 15894, PDB code: 4lpq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the L,D-Transpeptidase (Residues 123-326) From Xylanimonas Cellulosilytica Dsm 15894


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 the L,D-Transpeptidase (Residues 123-326) From Xylanimonas Cellulosilytica Dsm 15894 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:20.5 occ:1.00 O A:HOH747 2.7 37.3 1.0 OG1 A:THR164 3.1 15.2 1.0 O A:HOH692 3.1 25.7 1.0 N A:GLY161 3.2 12.5 1.0 N A:THR164 3.2 13.0 1.0 O A:HOH668 3.3 26.4 1.0 CA A:GLY161 3.3 12.6 1.0 C A:GLY161 3.4 12.1 1.0 O A:ASP159 3.6 16.1 1.0 N A:ALA163 3.6 13.1 1.0 CB A:THR164 3.7 13.6 1.0 O A:GLY161 3.7 12.8 1.0 CB A:ALA163 3.8 15.1 1.0 N A:TRP162 3.9 12.9 1.0 CA A:ALA163 4.0 12.7 1.0 CA A:THR164 4.0 11.9 1.0 C A:ALA163 4.0 13.2 1.0 C A:TYR160 4.4 13.4 1.0 C A:TRP162 4.5 12.8 1.0 NE2 A:GLN143 4.6 15.9 1.0 C A:ASP159 4.6 13.4 1.0 CA A:TYR160 4.7 13.8 1.0 CA A:TRP162 4.8 12.5 1.0 O A:HOH641 4.9 21.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the L,D-Transpeptidase (Residues 123-326) From Xylanimonas Cellulosilytica Dsm 15894


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 the L,D-Transpeptidase (Residues 123-326) From Xylanimonas Cellulosilytica Dsm 15894 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:21.1 occ:1.00 O A:HOH767 3.1 30.6 1.0 NE A:ARG132 3.2 15.1 1.0 O A:TYR160 3.7 14.5 1.0 CD A:ARG132 3.9 13.2 1.0 CA A:GLY133 3.9 15.4 1.0 N A:GLY133 4.0 14.8 1.0 NH2 A:ARG132 4.0 21.3 1.0 CZ A:ARG132 4.0 16.9 1.0 CA A:GLY161 4.1 12.6 1.0 CG A:ARG132 4.2 14.5 1.0 C A:TYR160 4.6 13.4 1.0 O A:HOH753 4.7 32.5 1.0 N A:GLY161 4.8 12.5 1.0 C A:ARG132 4.8 13.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the L,D-Transpeptidase (Residues 123-326) From Xylanimonas Cellulosilytica Dsm 15894


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 the L,D-Transpeptidase (Residues 123-326) From Xylanimonas Cellulosilytica Dsm 15894 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:22.1 occ:0.70 O A:HOH673 2.9 26.8 1.0 O A:HOH855 3.1 57.2 1.0 N A:ARG179 3.1 13.4 1.0 O A:HOH682 3.1 30.0 1.0 O A:HOH789 3.3 50.4 1.0 CG A:ARG179 3.5 12.5 1.0 O A:HOH831 3.6 49.1 1.0 CB A:ARG179 3.7 12.4 1.0 CA A:TYR178 3.8 13.6 1.0 CD1 A:TYR178 3.8 13.7 1.0 CD A:ARG179 3.8 12.4 1.0 C A:TYR178 3.9 11.7 1.0 CA A:ARG179 4.0 13.0 1.0 CE1 A:TYR178 4.3 14.8 1.0 CG A:TYR178 4.3 12.8 1.0 NE A:ARG179 4.3 11.8 1.0 O A:HOH726 4.3 36.1 1.0 O A:LEU177 4.4 14.3 1.0 O A:HOH606 4.5 14.5 1.0 CB A:TYR178 4.6 15.1 1.0 O A:HOH694 4.7 29.6 1.0 O A:HOH611 4.7 24.0 1.0 C A:ARG179 4.8 15.2 1.0 N A:TYR178 4.8 13.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the L,D-Transpeptidase (Residues 123-326) From Xylanimonas Cellulosilytica Dsm 15894


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 the L,D-Transpeptidase (Residues 123-326) From Xylanimonas Cellulosilytica Dsm 15894 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:19.7 occ:1.00 O A:HOH790 3.0 13.6 1.0 OG1 A:THR187 3.1 12.7 1.0 N A:THR187 3.2 11.6 1.0 O A:HOH614 3.3 16.3 1.0 N A:GLY184 3.3 12.5 1.0 O A:HOH733 3.3 30.8 1.0 CA A:GLY184 3.4 14.3 1.0 C A:GLY184 3.5 11.6 1.0 O A:HOH618 3.5 18.6 1.0 CB A:THR187 3.6 12.1 1.0 O A:GLY184 3.7 12.4 1.0 N A:GLN186 3.7 11.9 1.0 O A:VAL182 3.7 12.6 1.0 CB A:GLN186 4.0 13.1 1.0 N A:PRO185 4.0 12.4 1.0 CA A:THR187 4.0 10.9 1.0 CA A:GLN186 4.1 13.3 1.0 C A:GLN186 4.1 10.9 1.0 O A:HOH643 4.3 19.0 1.0 C A:VAL183 4.5 11.6 1.0 C A:PRO185 4.6 12.5 1.0 CD A:PRO185 4.7 14.3 1.0 C A:VAL182 4.8 11.2 1.0 O A:HOH750 4.9 46.6 0.5 CA A:VAL183 4.9 11.9 1.0 CA A:PRO185 4.9 12.4 1.0 NE2 A:GLN172 5.0 13.3 1.0

B.Nocek, L.Bigelow, M.Endres, G.Babnigg, A.Joachimiak. Crystal Structure of the L,D-Transpeptidase (Residues 123-326) From Xylanimonas Cellulosilytica Dsm 15894 To Be Published.