Chlorine in PDB 4ovr: Crystal Structure of A Trap Periplasmic Solute Binding Protein From Xanthobacter Autotrophicus PY2, Target Efi-510329, with Bound Beta-D- Galacturonate

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Xanthobacter Autotrophicus PY2, Target Efi-510329, with Bound Beta-D- Galacturonate, PDB code: 4ovr 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)	31.50 / 1.65
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	90.314, 111.362, 59.546, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 17

The binding sites of Chlorine atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Xanthobacter Autotrophicus PY2, Target Efi-510329, with Bound Beta-D- Galacturonate (pdb code 4ovr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Xanthobacter Autotrophicus PY2, Target Efi-510329, with Bound Beta-D- Galacturonate, PDB code: 4ovr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Xanthobacter Autotrophicus PY2, Target Efi-510329, with Bound Beta-D- Galacturonate


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 Xanthobacter Autotrophicus PY2, Target Efi-510329, with Bound Beta-D- Galacturonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:18.8 occ:1.00 H A:GLU72 2.2 9.5 1.0 H A:ALA191 2.3 13.9 1.0 HA A:PRO190 2.9 12.5 1.0 HB2 A:SER71 3.0 12.9 1.0 HG3 A:GLU72 3.0 10.7 1.0 O A:HOH675 3.1 13.1 1.0 N A:GLU72 3.1 7.9 1.0 N A:ALA191 3.1 11.6 1.0 O A:HOH641 3.1 11.2 1.0 HG11 A:VAL33 3.1 9.7 1.0 HA A:SER71 3.1 10.8 1.0 HB3 A:PRO190 3.2 17.2 1.0 O A:HOH643 3.3 11.2 1.0 HB2 A:GLU72 3.4 8.7 1.0 HB3 A:ALA191 3.5 17.8 1.0 CA A:PRO190 3.6 10.4 1.0 HB2 A:ALA191 3.6 17.8 1.0 CA A:SER71 3.7 9.0 1.0 CB A:SER71 3.7 10.7 1.0 CB A:PRO190 3.8 14.3 1.0 CG A:GLU72 3.8 8.9 1.0 C A:PRO190 3.8 11.2 1.0 CB A:ALA191 3.8 14.8 1.0 C A:SER71 3.9 7.4 1.0 CB A:GLU72 3.9 7.2 1.0 CG1 A:VAL33 4.0 8.1 1.0 CA A:GLU72 4.1 7.5 1.0 CA A:ALA191 4.1 10.3 1.0 HB3 A:SER71 4.1 12.9 1.0 HG12 A:VAL33 4.1 9.7 1.0 O A:HOH628 4.2 10.3 1.0 HB2 A:PRO190 4.2 17.2 1.0 H A:LYS73 4.3 11.1 1.0 H A:GLY192 4.3 12.8 1.0 HG2 A:GLU72 4.4 10.7 1.0 HG13 A:VAL33 4.5 9.7 1.0 HE21 A:GLN171 4.5 9.7 1.0 HH21 A:ARG168 4.7 9.9 1.0 HG21 A:VAL33 4.7 11.3 1.0 CD A:GLU72 4.7 11.2 1.0 HA A:ALA191 4.7 12.4 1.0 HA A:GLU72 4.7 9.0 1.0 O61 A:GTR403 4.7 10.9 1.0 HH22 A:ARG168 4.7 9.9 1.0 HB1 A:ALA191 4.8 17.8 1.0 HB3 A:GLU72 4.8 8.7 1.0 OG A:SER71 4.8 12.3 1.0 OE1 A:GLU72 4.9 15.2 1.0 HB A:VAL33 4.9 9.4 1.0 N A:PRO190 4.9 10.6 1.0 N A:LYS73 4.9 9.2 1.0 HG3 A:PRO190 4.9 21.7 1.0 N A:GLY192 5.0 10.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Xanthobacter Autotrophicus PY2, Target Efi-510329, with Bound Beta-D- Galacturonate


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 Xanthobacter Autotrophicus PY2, Target Efi-510329, with Bound Beta-D- Galacturonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:36.8 occ:1.00 H A:GLU160 2.2 18.8 1.0 HG3 A:GLU160 2.4 26.1 1.0 OE1 A:GLU160 2.6 43.4 1.0 HB2 A:LYS158 2.8 16.5 1.0 HB2 A:GLU160 2.9 23.3 1.0 O A:HOH759 2.9 25.8 1.0 HD2 A:LYS158 3.0 25.0 1.0 O A:HOH768 3.0 28.6 1.0 CG A:GLU160 3.0 21.8 1.0 N A:GLU160 3.0 15.7 1.0 CD A:GLU160 3.1 38.7 1.0 HB3 A:LEU159 3.2 17.8 1.0 CB A:GLU160 3.3 19.4 1.0 HG3 A:LYS158 3.3 19.4 1.0 H A:LEU159 3.4 15.1 1.0 CB A:LYS158 3.6 13.7 1.0 N A:LEU159 3.6 12.6 1.0 CA A:GLU160 3.7 16.5 1.0 CG A:LYS158 3.7 16.2 1.0 CD A:LYS158 3.7 20.8 1.0 HG2 A:GLU160 3.9 26.1 1.0 C A:LEU159 4.0 15.1 1.0 CB A:LEU159 4.1 14.8 1.0 CA A:LEU159 4.1 12.5 1.0 C A:LYS158 4.1 13.9 1.0 HA A:GLU160 4.2 19.8 1.0 HB3 A:GLU160 4.2 23.3 1.0 HB3 A:LYS158 4.2 16.5 1.0 OE2 A:GLU160 4.3 42.6 1.0 HE2 A:LYS158 4.3 28.6 1.0 HD3 A:LYS158 4.4 25.0 1.0 CA A:LYS158 4.5 12.9 1.0 O A:HOH672 4.5 16.5 1.0 CE A:LYS158 4.6 23.8 1.0 O A:HOH901 4.6 43.9 1.0 HG2 A:PRO295 4.6 25.3 1.0 HB2 A:LEU159 4.7 17.8 1.0 HG2 A:LYS158 4.7 19.4 1.0 O A:HOH729 4.7 23.6 1.0 O A:HOH861 4.7 33.5 1.0 HG A:LEU159 4.8 16.8 1.0 H A:ASP161 4.8 20.2 1.0 HA A:LYS158 4.8 15.5 1.0 O A:LYS158 4.8 14.8 1.0 HE3 A:LYS158 4.9 28.6 1.0 HD23 A:LEU159 4.9 23.3 1.0 C A:GLU160 5.0 15.5 1.0 CG A:LEU159 5.0 14.0 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 From Xanthobacter Autotrophicus PY2, Target Efi-510329, with Bound Beta-D-Galacturonate To Be Published.