Chlorine in PDB 4oan: Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_2686), Target Efi-510221, with Density Modeled As (S)-2-Hydroxy-2-Methyl-3-Oxobutanoate ((S)-2- Acetolactate)

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_2686), Target Efi-510221, with Density Modeled As (S)-2-Hydroxy-2-Methyl-3-Oxobutanoate ((S)-2- Acetolactate), PDB code: 4oan 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)	31.40 / 1.35
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	55.064, 59.609, 61.005, 62.62, 71.24, 67.18
R / Rfree (%)	14.3 / 16.3

The binding sites of Chlorine atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_2686), Target Efi-510221, with Density Modeled As (S)-2-Hydroxy-2-Methyl-3-Oxobutanoate ((S)-2- Acetolactate) (pdb code 4oan). 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 Rhodopseudomonas Palustris HAA2 (RPB_2686), Target Efi-510221, with Density Modeled As (S)-2-Hydroxy-2-Methyl-3-Oxobutanoate ((S)-2- Acetolactate), PDB code: 4oan:

Chlorine binding site 1 out of 1 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_2686), Target Efi-510221, with Density Modeled As (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 Rhodopseudomonas Palustris HAA2 (RPB_2686), Target Efi-510221, with Density Modeled As (S)-2-Hydroxy-2-Methyl-3-Oxobutanoate ((S)-2- Acetolactate) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:23.5 occ:1.00 HZ2 A:LYS288 2.9 34.7 1.0 HB3 A:PHE298 2.9 8.3 1.0 HD2 A:LYS288 3.2 25.1 1.0 HA A:ASN299 3.3 8.2 1.0 HB2 A:GLN300 3.4 9.1 1.0 HD12 A:LEU237 3.4 11.0 1.0 H A:GLN300 3.5 8.1 1.0 N A:GLN300 3.6 6.8 1.0 C A:ASN299 3.6 6.2 1.0 HD11 A:LEU237 3.7 11.0 1.0 NZ A:LYS288 3.7 28.9 1.0 HB2 A:PHE298 3.7 8.3 1.0 CB A:PHE298 3.7 6.9 1.0 CA A:ASN299 3.8 6.8 1.0 HZ3 A:LYS288 3.8 34.7 1.0 N A:ASN299 3.9 6.9 1.0 C A:PHE298 4.0 8.1 1.0 CD1 A:LEU237 4.0 9.2 1.0 O A:PHE298 4.1 8.2 1.0 CD A:LYS288 4.1 20.9 1.0 CB A:GLN300 4.1 7.5 1.0 HB3 A:GLN300 4.1 9.1 1.0 O A:HOH537 4.2 15.2 1.0 O A:ASN299 4.2 6.0 1.0 HZ1 A:LYS288 4.3 34.7 1.0 HD3 A:LYS288 4.3 25.1 1.0 CA A:GLN300 4.3 8.6 1.0 H A:ASN299 4.3 8.2 1.0 CE A:LYS288 4.4 22.5 1.0 HG A:LEU237 4.4 8.3 1.0 HD2 A:PHE298 4.5 7.6 1.0 HE3 A:LYS288 4.5 27.0 1.0 CA A:PHE298 4.5 6.9 1.0 HA A:GLN300 4.6 10.3 1.0 HD13 A:LEU237 4.7 11.0 1.0 CG A:PHE298 4.8 6.7 1.0 CG A:LEU237 4.8 6.9 1.0 CD2 A:PHE298 5.0 6.3 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 Rhodopseudomonas Palustris HAA2 (RPB_2686), Target Efi-510221, with Density Modeled As (S)-2-Hydroxy-2-Methyl-3-Oxobutanoate ((S)-2-Acetolactate) To Be Published.