Chlorine in PDB 4p8b: Crystal Structure of A Trap Periplasmic Solute Binding Protein From Ralstonia Eutropha H16 (H16_A1328), Target Efi-510189, with Bound (S)-2-Hydroxy-2-Methyl-3-Oxobutanoate ((S)-2-Acetolactate)

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Ralstonia Eutropha H16 (H16_A1328), Target Efi-510189, with Bound (S)-2-Hydroxy-2-Methyl-3-Oxobutanoate ((S)-2-Acetolactate), PDB code: 4p8b 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)	26.49 / 1.30
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	140.193, 140.193, 38.579, 90.00, 90.00, 120.00
R / Rfree (%)	15.4 / 17.4

The binding sites of Chlorine atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Ralstonia Eutropha H16 (H16_A1328), Target Efi-510189, with Bound (S)-2-Hydroxy-2-Methyl-3-Oxobutanoate ((S)-2-Acetolactate) (pdb code 4p8b). 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 Ralstonia Eutropha H16 (H16_A1328), Target Efi-510189, with Bound (S)-2-Hydroxy-2-Methyl-3-Oxobutanoate ((S)-2-Acetolactate), PDB code: 4p8b:
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 Ralstonia Eutropha H16 (H16_A1328), Target Efi-510189, with Bound (S)-2-Hydroxy-2-Methyl-3-Oxobutanoate ((S)-2-Acetolactate)


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 Ralstonia Eutropha H16 (H16_A1328), Target Efi-510189, with Bound (S)-2-Hydroxy-2-Methyl-3-Oxobutanoate ((S)-2-Acetolactate) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:26.1 occ:1.00 H A:ALA42 2.4 14.8 1.0 O A:HOH806 2.6 31.2 1.0 HA3 A:GLY40 2.8 15.1 1.0 HB3 A:ALA42 2.9 16.5 1.0 HB2 A:ALA42 3.1 16.5 1.0 O A:HOH611 3.1 26.2 1.0 O A:HOH642 3.1 22.1 1.0 N A:ALA42 3.2 12.4 1.0 C A:GLY40 3.3 14.8 1.0 CB A:ALA42 3.3 13.8 1.0 HD2 A:PRO41 3.3 20.4 1.0 CA A:GLY40 3.4 12.6 1.0 H A:GLY40 3.4 14.4 1.0 O A:HOH584 3.4 20.1 1.0 HD1 A:PHE43 3.5 12.5 1.0 N A:PRO41 3.5 14.0 1.0 HE1 A:PHE43 3.7 14.2 1.0 O A:GLY40 3.7 11.5 1.0 N A:GLY40 3.8 12.0 1.0 CA A:ALA42 3.9 13.6 1.0 CD A:PRO41 3.9 17.0 1.0 CD1 A:PHE43 4.2 10.4 1.0 HB1 A:ALA42 4.2 16.5 1.0 C A:PRO41 4.2 13.4 1.0 HA2 A:GLY40 4.3 15.1 1.0 CE1 A:PHE43 4.3 11.8 1.0 H A:PHE43 4.3 12.6 1.0 HD3 A:PRO41 4.4 20.4 1.0 CA A:PRO41 4.4 14.9 1.0 HA A:ALA42 4.6 16.3 1.0 N A:PHE43 4.8 10.5 1.0 C A:ALA42 4.9 10.9 1.0 HB2 A:PRO41 4.9 24.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Ralstonia Eutropha H16 (H16_A1328), Target Efi-510189, with Bound (S)-2-Hydroxy-2-Methyl-3-Oxobutanoate ((S)-2-Acetolactate)


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 Ralstonia Eutropha H16 (H16_A1328), Target Efi-510189, with Bound (S)-2-Hydroxy-2-Methyl-3-Oxobutanoate ((S)-2-Acetolactate) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:29.0 occ:1.00 H A:LYS121 2.6 15.3 1.0 HB2 A:ASP119 2.7 16.3 1.0 H A:TYR120 2.8 13.0 1.0 HB2 A:TYR120 2.8 17.4 1.0 O A:HOH764 3.2 40.0 1.0 HB2 A:LYS121 3.3 20.7 1.0 N A:LYS121 3.3 12.8 1.0 N A:TYR120 3.3 10.8 1.0 HD2 A:TYR120 3.4 18.1 1.0 CB A:ASP119 3.6 13.6 1.0 CB A:TYR120 3.7 14.5 1.0 CA A:TYR120 3.8 12.4 1.0 CG A:ASP119 3.9 13.9 1.0 C A:TYR120 4.0 12.9 1.0 CB A:LYS121 4.1 17.2 1.0 C A:ASP119 4.2 12.9 1.0 HB3 A:ASP119 4.2 16.3 1.0 CD2 A:TYR120 4.2 15.0 1.0 OD1 A:ASP119 4.2 14.0 1.0 CA A:LYS121 4.3 12.7 1.0 HB3 A:LYS121 4.3 20.7 1.0 HB3 A:TYR120 4.3 17.4 1.0 OD2 A:ASP119 4.4 17.5 1.0 CG A:TYR120 4.4 13.5 1.0 CA A:ASP119 4.5 13.4 1.0 HA A:LYS121 4.7 15.2 1.0 HA A:ASP119 4.7 16.1 1.0 HA A:TYR120 4.8 14.9 1.0 HB2 A:ALA284 4.8 39.7 1.0 HD2 A:LYS121 4.9 36.3 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 Ralstonia Eutropha H16 (H16_A1328), Target Efi-510189, with Bound (S)-2-Hydroxy-2-Methyl-3-Oxobutanoate ((S)-2-Acetolactate) To Be Published.