Chlorine in PDB 4ovt: Crystal Structure of A Trap Periplasmic Solute Binding Protein From Ochrobacterium Anthropi (OANT_3902), Target Efi-510153, with Bound L- Fuconate

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Ochrobacterium Anthropi (OANT_3902), Target Efi-510153, with Bound L- Fuconate, PDB code: 4ovt 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)	29.22 / 1.80
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.109, 123.234, 164.341, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 18

The binding sites of Chlorine atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Ochrobacterium Anthropi (OANT_3902), Target Efi-510153, with Bound L- Fuconate (pdb code 4ovt). 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 Ochrobacterium Anthropi (OANT_3902), Target Efi-510153, with Bound L- Fuconate, PDB code: 4ovt:
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 Ochrobacterium Anthropi (OANT_3902), Target Efi-510153, with Bound L- Fuconate


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 Ochrobacterium Anthropi (OANT_3902), Target Efi-510153, with Bound L- Fuconate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:12.6 occ:1.00 H A:ASN172 2.3 11.4 1.0 HD21 A:ASN172 2.5 18.0 1.0 HA A:PRO191 2.8 8.6 1.0 HB2 A:ASN172 2.9 11.9 1.0 HZ A:PHE93 3.0 8.5 1.0 O A:HOH603 3.0 6.5 1.0 CL A:CL402 3.0 18.4 1.0 N A:ASN172 3.2 9.5 1.0 ND2 A:ASN172 3.2 15.0 1.0 HB3 A:PRO171 3.3 10.4 1.0 HA A:PRO171 3.4 9.1 1.0 HE1 A:PHE93 3.5 8.6 1.0 CB A:ASN172 3.7 9.9 1.0 CA A:PRO191 3.7 7.1 1.0 CZ A:PHE93 3.7 7.0 1.0 HD22 A:ASN172 3.8 18.0 1.0 HG3 A:PRO191 3.9 10.3 1.0 CG A:ASN172 3.9 13.5 1.0 CA A:PRO171 3.9 7.5 1.0 CB A:PRO171 3.9 8.6 1.0 HH11 A:ARG169 3.9 7.3 1.0 CE1 A:PHE93 4.0 7.2 1.0 CA A:ASN172 4.0 7.5 1.0 O A:MSE190 4.0 6.1 1.0 C A:PRO171 4.0 7.2 1.0 N A:PRO191 4.0 5.8 1.0 HB2 A:PRO171 4.1 10.4 1.0 HB3 A:PRO191 4.1 6.5 1.0 C A:MSE190 4.2 6.1 1.0 HB3 A:LYS72 4.3 7.2 1.0 CB A:PRO191 4.4 5.5 1.0 H A:LEU192 4.4 6.7 1.0 O A:HOH604 4.4 6.4 1.0 HH12 A:ARG169 4.4 7.3 1.0 HE2 A:LYS72 4.5 5.3 1.0 NH1 A:ARG169 4.5 6.1 1.0 CG A:PRO191 4.5 8.6 1.0 HB3 A:ASN172 4.5 11.9 1.0 C A:PRO191 4.8 7.2 1.0 C A:ASN172 4.8 10.7 1.0 HA A:ASN172 4.8 9.0 1.0 CD A:PRO191 4.8 8.6 1.0 HD3 A:PRO191 4.8 10.3 1.0 H A:LYS72 4.8 5.3 1.0 N A:LEU192 4.8 5.5 1.0 O1A A:LFC403 4.9 6.3 1.0 O A:ASN172 4.9 11.1 1.0 HB2 A:LYS72 4.9 7.2 1.0 HB2 A:SER71 5.0 15.0 1.0 HG3 A:LYS73 5.0 13.0 1.0 HD2 A:LYS73 5.0 23.5 1.0 CE2 A:PHE93 5.0 7.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Ochrobacterium Anthropi (OANT_3902), Target Efi-510153, with Bound L- Fuconate


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 Ochrobacterium Anthropi (OANT_3902), Target Efi-510153, with Bound L- Fuconate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:18.4 occ:1.00 H A:LYS73 2.4 6.2 1.0 HB2 A:SER71 2.8 15.0 1.0 HG3 A:LYS73 3.0 13.0 1.0 CL A:CL401 3.0 12.6 1.0 O A:HOH626 3.0 14.9 1.0 HB2 A:LYS73 3.1 8.8 1.0 HB3 A:LYS72 3.1 7.2 1.0 N A:LYS73 3.2 5.2 1.0 HD3 A:LYS73 3.2 23.5 1.0 HD21 A:ASN172 3.3 18.0 1.0 H A:LYS72 3.3 5.3 1.0 HE1 A:PHE93 3.5 8.6 1.0 CG A:LYS73 3.6 10.8 1.0 HB2 A:ASN172 3.6 11.9 1.0 HG3 A:PRO191 3.6 10.3 1.0 N A:LYS72 3.7 4.5 1.0 CB A:LYS73 3.7 7.3 1.0 CD A:LYS73 3.7 19.6 1.0 CB A:SER71 3.7 12.5 1.0 HD2 A:LYS73 3.8 23.5 1.0 HG A:SER71 3.9 17.1 1.0 CB A:LYS72 4.0 6.0 1.0 OG A:SER71 4.0 14.2 1.0 CA A:LYS73 4.0 8.0 1.0 ND2 A:ASN172 4.0 15.0 1.0 CA A:LYS72 4.1 4.5 1.0 C A:LYS72 4.1 4.8 1.0 C A:SER71 4.3 4.5 1.0 CE1 A:PHE93 4.3 7.2 1.0 HB3 A:PRO191 4.3 6.5 1.0 HB2 A:LYS72 4.3 7.2 1.0 O A:HOH604 4.3 6.4 1.0 HB3 A:SER71 4.4 15.0 1.0 CB A:ASN172 4.5 9.9 1.0 CA A:SER71 4.5 4.5 1.0 HA A:PRO191 4.5 8.6 1.0 HG2 A:LYS73 4.5 13.0 1.0 H A:ASP74 4.5 8.7 1.0 HA A:SER71 4.5 5.4 1.0 CG A:PRO191 4.5 8.6 1.0 HD22 A:ASN172 4.5 18.0 1.0 HB3 A:LYS73 4.5 8.8 1.0 HA A:LYS73 4.6 9.6 1.0 HZ A:PHE93 4.6 8.5 1.0 H A:ASN172 4.7 11.4 1.0 CG A:ASN172 4.7 13.5 1.0 CB A:PRO191 4.8 5.5 1.0 HB3 A:ASN172 4.8 11.9 1.0 CZ A:PHE93 4.9 7.0 1.0 O A:HOH603 4.9 6.5 1.0 HD2 A:LYS72 5.0 5.5 1.0 O A:HOH771 5.0 39.3 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Ochrobacterium Anthropi (OANT_3902), Target Efi-510153, with Bound L- Fuconate


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 Ochrobacterium Anthropi (OANT_3902), Target Efi-510153, with Bound L- Fuconate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:18.6 occ:1.00 H B:LYS73 2.5 18.1 1.0 HD21 B:ASN172 2.7 23.4 1.0 HB2 B:SER71 3.0 22.9 1.0 O B:HOH589 3.1 7.9 1.0 HB2 B:LYS73 3.1 25.9 1.0 HG3 B:LYS73 3.1 27.3 1.0 O B:HOH844 3.1 34.7 1.0 HB3 B:LYS72 3.2 11.8 1.0 N B:LYS73 3.3 15.1 1.0 HB2 B:ASN172 3.3 14.8 1.0 HG3 B:PRO191 3.3 20.2 1.0 H B:LYS72 3.4 12.7 1.0 HD3 B:LYS73 3.5 31.7 1.0 ND2 B:ASN172 3.5 19.5 1.0 HE2 B:PHE93 3.6 13.9 1.0 CG B:LYS73 3.7 22.8 1.0 CB B:LYS73 3.7 21.6 1.0 N B:LYS72 3.8 10.6 1.0 HD2 B:LYS73 3.8 31.7 1.0 HG B:SER71 3.8 27.6 1.0 CB B:SER71 3.8 19.1 1.0 CD B:LYS73 3.9 26.4 1.0 OG B:SER71 4.0 23.0 1.0 CB B:LYS72 4.0 9.9 1.0 HD22 B:ASN172 4.0 23.4 1.0 CA B:LYS73 4.1 15.5 1.0 CB B:ASN172 4.2 12.3 1.0 HB2 B:LYS72 4.2 11.8 1.0 CA B:LYS72 4.2 10.2 1.0 C B:LYS72 4.2 11.4 1.0 CG B:PRO191 4.3 16.8 1.0 HB3 B:PRO191 4.3 18.4 1.0 HA B:PRO191 4.4 14.1 1.0 CG B:ASN172 4.4 21.0 1.0 CE2 B:PHE93 4.4 11.6 1.0 C B:SER71 4.4 14.0 1.0 O B:HOH592 4.4 12.2 1.0 H B:ASN172 4.5 16.7 1.0 HB3 B:SER71 4.5 22.9 1.0 HB3 B:ASN172 4.5 14.8 1.0 H B:ASP74 4.5 19.4 1.0 HB3 B:LYS73 4.6 25.9 1.0 HG2 B:LYS73 4.6 27.3 1.0 HZ B:PHE93 4.6 10.8 1.0 CA B:SER71 4.7 15.3 1.0 HA B:LYS73 4.7 18.6 1.0 CB B:PRO191 4.7 15.3 1.0 HG2 B:PRO191 4.8 20.2 1.0 HA B:SER71 4.8 18.3 1.0 CZ B:PHE93 4.9 9.0 1.0 O B:HOH829 4.9 12.1 1.0 CA B:PRO191 5.0 11.7 1.0 HD3 B:PRO191 5.0 19.0 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 Ochrobacterium Anthropi (OANT_3902), Target Efi-510153, with Bound L-Fuconate To Be Published.