Chlorine in PDB 4nn3: Crystal Structure of A Trap Periplasmic Solute Binding Protein From Desulfovibrio Salexigens (DESAL_2161), Target Efi-510109, with Bound Orotic Acid

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Desulfovibrio Salexigens (DESAL_2161), Target Efi-510109, with Bound Orotic Acid, PDB code: 4nn3 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)	30.73 / 1.40
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	49.346, 147.006, 39.272, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 18.9

The binding sites of Chlorine atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Desulfovibrio Salexigens (DESAL_2161), Target Efi-510109, with Bound Orotic Acid (pdb code 4nn3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Desulfovibrio Salexigens (DESAL_2161), Target Efi-510109, with Bound Orotic Acid, PDB code: 4nn3:

Chlorine binding site 1 out of 1 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Desulfovibrio Salexigens (DESAL_2161), Target Efi-510109, with Bound Orotic Acid


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 Desulfovibrio Salexigens (DESAL_2161), Target Efi-510109, with Bound Orotic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:8.6 occ:1.00 H A:GLN75 2.5 12.3 1.0 H A:PHE195 2.5 9.4 1.0 HB2 A:ASN74 2.7 12.6 1.0 HA A:PRO194 2.9 8.8 1.0 HB3 A:PRO194 3.1 12.8 1.0 O A:HOH526 3.2 9.7 1.0 O A:HOH571 3.2 14.3 1.0 HD21 A:LEU36 3.3 21.7 1.0 N A:PHE195 3.3 7.8 1.0 N A:GLN75 3.3 10.3 1.0 HD11 A:LEU36 3.4 12.4 1.0 HB2 A:GLN75 3.5 12.8 1.0 HE1 A:PHE96 3.6 11.1 1.0 CA A:PRO194 3.6 7.3 1.0 HD22 A:LEU36 3.6 21.7 1.0 CB A:ASN74 3.6 10.5 1.0 HB3 A:PHE195 3.6 11.9 1.0 HB3 A:GLN75 3.7 12.8 1.0 HB2 A:PHE195 3.7 11.9 1.0 HZ A:PHE96 3.7 12.1 1.0 HA A:ASN74 3.8 11.2 1.0 HD13 A:LEU36 3.8 12.4 1.0 CB A:PRO194 3.8 10.6 1.0 CE1 A:PHE96 3.8 9.3 1.0 CD2 A:LEU36 3.9 18.1 1.0 C A:PRO194 3.9 8.1 1.0 CB A:GLN75 3.9 10.7 1.0 CZ A:PHE96 3.9 10.1 1.0 CD1 A:LEU36 4.0 10.3 1.0 CB A:PHE195 4.0 9.9 1.0 CA A:ASN74 4.1 9.3 1.0 HB3 A:ASN74 4.1 12.6 1.0 C A:ASN74 4.2 10.8 1.0 H A:GLY196 4.2 11.0 1.0 CA A:GLN75 4.2 8.5 1.0 HB2 A:PRO194 4.3 12.8 1.0 CA A:PHE195 4.3 8.9 1.0 H A:ARG76 4.5 14.5 1.0 CG A:ASN74 4.5 13.3 1.0 CG A:LEU36 4.6 12.5 1.0 HD23 A:LEU36 4.6 21.7 1.0 HH21 A:ARG172 4.7 7.8 1.0 CD1 A:PHE96 4.7 7.9 1.0 HD12 A:LEU36 4.8 12.4 1.0 HG3 A:PRO194 4.9 23.0 1.0 HA A:GLN75 4.9 10.2 1.0 CE2 A:PHE96 4.9 8.9 1.0 N A:PRO194 4.9 9.0 1.0 N A:GLY196 4.9 9.1 1.0 OD1 A:ASN74 4.9 10.4 1.0 CG A:PRO194 5.0 19.1 1.0 HA A:PHE195 5.0 10.7 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 Desulfovibrio Salexigens (DESAL_2161), Target Efi-510109, with Bound Orotic Acid To Be Published.