Chlorine in PDB 4pf8: Crystal Structure of A Trap Periplasmic Solute Binding Protein From Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D- Galacturonate

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D- Galacturonate, PDB code: 4pf8 was solved by M.W.Vetting, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, M.Stead, J.D.Attonito, A.Scott Glenn, S.Chowdhury, B.Evans, B.Hillerich, J.Love, R.D.Seidel, K.L.Whalen, 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)	27.92 / 1.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	57.979, 58.014, 62.968, 115.62, 104.69, 94.16
R / Rfree (%)	14.7 / 16.5

The binding sites of Chlorine atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D- Galacturonate (pdb code 4pf8). 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 Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D- Galacturonate, PDB code: 4pf8:
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 Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) 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 Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D- Galacturonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:10.5 occ:1.00 H A:GLN71 2.4 8.4 1.0 H A:PHE191 2.5 9.8 1.0 HA A:ALA190 3.0 12.1 1.0 O A:HOH691 3.0 29.7 1.0 O A:HOH595 3.1 14.6 1.0 HD11 A:ILE32 3.2 18.1 1.0 O A:HOH581 3.2 8.7 1.0 HB2 A:SER70 3.2 13.8 1.0 HB1 A:ALA190 3.2 10.8 1.0 N A:GLN71 3.3 7.0 1.0 N A:PHE191 3.3 8.2 1.0 HB3 A:GLN71 3.4 8.1 1.0 HB2 A:GLN71 3.4 8.1 1.0 HD3 A:PRO72 3.5 12.7 1.0 HA A:SER70 3.5 9.4 1.0 HB2 A:PHE191 3.6 9.5 1.0 HD13 A:ILE32 3.6 18.1 1.0 CA A:ALA190 3.7 10.1 1.0 HB3 A:PHE191 3.7 9.5 1.0 CB A:GLN71 3.8 6.7 1.0 CB A:ALA190 3.8 9.0 1.0 CD1 A:ILE32 3.8 15.1 1.0 HD2 A:PRO72 3.9 12.7 1.0 HB2 A:ALA190 3.9 10.8 1.0 CB A:SER70 4.0 11.5 1.0 C A:ALA190 4.0 7.7 1.0 CB A:PHE191 4.0 7.9 1.0 CA A:SER70 4.1 7.8 1.0 CA A:GLN71 4.1 6.8 1.0 C A:SER70 4.1 8.9 1.0 CD A:PRO72 4.2 10.6 1.0 O A:HOH596 4.2 13.5 1.0 HE21 A:GLN71 4.3 10.1 1.0 CA A:PHE191 4.3 9.0 1.0 HD12 A:ILE32 4.3 18.1 1.0 H A:ALA192 4.4 10.6 1.0 HB3 A:SER70 4.5 13.8 1.0 HB3 A:ALA190 4.7 10.8 1.0 HH21 A:ARG168 4.7 8.8 1.0 HA A:GLN71 4.7 8.2 1.0 HG13 A:ILE32 4.8 15.1 1.0 O62 A:GTR402 4.9 8.0 1.0 OD1 A:ASN171 4.9 25.4 1.0 HH22 A:ARG168 4.9 8.8 1.0 OG A:SER70 4.9 16.4 1.0 HZ2 A:TRP30 5.0 7.9 1.0 N A:ALA190 5.0 8.3 1.0 HA A:PHE191 5.0 10.8 1.0 CG1 A:ILE32 5.0 12.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) 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 Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D- Galacturonate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:10.3 occ:1.00 H B:GLN71 2.4 9.6 1.0 H B:PHE191 2.5 8.2 1.0 HA B:ALA190 3.0 9.7 1.0 O B:HOH603 3.1 14.1 1.0 HD11 B:ILE32 3.1 19.3 1.0 HB2 B:SER70 3.1 12.9 1.0 O B:HOH578 3.2 10.1 1.0 HB1 B:ALA190 3.3 11.5 1.0 N B:GLN71 3.3 8.0 1.0 N B:PHE191 3.3 6.8 1.0 HB2 B:GLN71 3.4 9.3 1.0 HB3 B:GLN71 3.4 9.3 1.0 HD3 B:PRO72 3.5 12.1 1.0 HB2 B:PHE191 3.5 6.9 1.0 HA B:SER70 3.6 12.3 1.0 HD12 B:ILE32 3.6 19.3 1.0 CA B:ALA190 3.7 8.1 1.0 HB3 B:PHE191 3.7 6.9 1.0 CB B:GLN71 3.7 7.8 1.0 CB B:ALA190 3.8 9.6 1.0 CD1 B:ILE32 3.8 16.1 1.0 HD2 B:PRO72 3.9 12.1 1.0 CB B:SER70 4.0 10.8 1.0 C B:ALA190 4.0 9.1 1.0 CB B:PHE191 4.0 5.7 1.0 HB2 B:ALA190 4.0 11.5 1.0 CA B:SER70 4.1 10.3 1.0 CA B:GLN71 4.1 7.1 1.0 C B:SER70 4.2 9.2 1.0 O B:HOH604 4.2 12.5 1.0 CD B:PRO72 4.2 10.1 1.0 HE21 B:GLN71 4.3 10.5 1.0 CA B:PHE191 4.3 5.7 1.0 HD13 B:ILE32 4.4 19.3 1.0 H B:ALA192 4.4 9.6 1.0 HB3 B:SER70 4.5 12.9 1.0 HB3 B:ALA190 4.7 11.5 1.0 HH21 B:ARG168 4.7 10.5 1.0 HA B:GLN71 4.7 8.5 1.0 HG13 B:ILE32 4.8 12.0 1.0 OD1 B:ASN171 4.8 26.4 1.0 OG B:SER70 4.9 16.1 1.0 O61 B:GTR402 4.9 7.2 1.0 HH22 B:ARG168 4.9 10.5 1.0 N B:ALA190 5.0 7.9 1.0 CG1 B:ILE32 5.0 10.0 1.0 HA B:PHE191 5.0 6.9 1.0

M.W.Vetting, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, M.Stead, J.D.Attonito, A.Scott Glenn, S.Chowdhury, B.Evans, B.Hillerich, J.Love, R.D.Seidel, K.L.Whalen, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of A Trap Periplasmic Solute Binding Protein From Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D-Galacturonate To Be Published.