Chlorine in PDB 4mx6: Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Oneidensis (SO_3134), Target Efi-510275, with Bound Succinate

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Oneidensis (SO_3134), Target Efi-510275, with Bound Succinate, PDB code: 4mx6 was solved by M.W.Vetting, R.Toro, R.Bhosle, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, S.Sojitra, S.Zhao, M.Stead, J.D.Attonito, A.Scott Glenn, S.Chowdhury, B.Evans, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, M.P.Jacobson, 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)	26.59 / 1.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.066, 68.581, 53.937, 90.00, 99.66, 90.00
R / Rfree (%)	13.3 / 15.3

The binding sites of Chlorine atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Oneidensis (SO_3134), Target Efi-510275, with Bound Succinate (pdb code 4mx6). 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 Shewanella Oneidensis (SO_3134), Target Efi-510275, with Bound Succinate, PDB code: 4mx6:
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 Shewanella Oneidensis (SO_3134), Target Efi-510275, with Bound Succinate


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 Shewanella Oneidensis (SO_3134), Target Efi-510275, with Bound Succinate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:22.4 occ:1.00 HH22 A:ARG107 2.0 40.9 1.0 H A:ALA88 2.1 11.6 1.0 NH2 A:ARG107 2.7 34.1 1.0 O A:HOH536 2.8 10.6 1.0 HA A:ASN85 2.9 13.6 1.0 HB2 A:ALA88 2.9 13.4 1.0 HH21 A:ARG107 2.9 40.9 1.0 N A:ALA88 2.9 9.6 1.0 O A:HOH591 2.9 20.2 1.0 O A:ASN84 3.0 14.8 1.0 H A:LEU87 3.1 9.8 1.0 HB2 A:LEU87 3.2 11.1 1.0 HB3 A:ALA88 3.2 13.4 1.0 CB A:ALA88 3.4 11.2 1.0 C A:ASN85 3.5 9.9 1.0 N A:LEU87 3.6 8.2 1.0 CA A:ASN85 3.6 11.4 1.0 O A:ASN85 3.7 10.2 1.0 CA A:ALA88 3.7 10.4 1.0 C A:ASN84 3.8 12.8 1.0 HH12 A:ARG107 3.8 42.8 1.0 C A:LEU87 3.8 9.2 1.0 CZ A:ARG107 3.8 34.6 1.0 O A:HOH617 3.9 23.9 1.0 O A:HOH907 3.9 24.1 1.0 CA A:LEU87 3.9 8.7 1.0 CB A:LEU87 4.0 9.3 1.0 N A:GLU86 4.0 8.9 1.0 N A:ASN85 4.1 11.3 1.0 H A:GLU86 4.2 10.7 1.0 HA A:ALA88 4.2 12.5 1.0 NH1 A:ARG107 4.2 35.7 1.0 HB1 A:ALA88 4.3 13.4 1.0 HB3 A:LEU87 4.4 11.1 1.0 C A:GLU86 4.4 8.2 1.0 H A:ALA89 4.5 11.2 1.0 OH A:TYR108 4.7 17.3 1.0 O A:HOH809 4.8 42.5 1.0 HE2 A:TYR108 4.8 17.4 1.0 H A:ASN85 4.8 13.6 1.0 HH A:TYR108 4.8 20.8 1.0 CA A:GLU86 4.8 8.2 1.0 CB A:ASN85 4.8 12.6 1.0 HB2 A:ASN85 4.9 15.1 1.0 HA A:LEU87 4.9 10.4 1.0 NE A:ARG107 4.9 33.0 1.0 C A:ALA88 5.0 10.1 1.0 O A:LEU87 5.0 9.0 1.0 HA A:ASN84 5.0 15.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Oneidensis (SO_3134), Target Efi-510275, with Bound Succinate


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 Shewanella Oneidensis (SO_3134), Target Efi-510275, with Bound Succinate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:28.5 occ:1.00 H A:LYS199 2.1 11.3 0.6 H A:LYS199 2.1 11.3 0.5 HA A:VAL198 2.7 11.4 0.5 O A:HOH707 2.7 29.2 1.0 O A:HOH657 2.8 19.6 1.0 N A:LYS199 3.0 9.4 1.0 HG3 A:LYS199 3.0 13.8 1.0 HA A:VAL198 3.0 12.1 0.6 HB2 A:LYS199 3.1 12.6 1.0 HG23 A:VAL198 3.2 14.5 0.5 CA A:VAL198 3.6 9.5 0.5 CB A:LYS199 3.6 10.5 1.0 CG A:LYS199 3.6 11.6 1.0 HD2 A:LYS199 3.7 15.9 1.0 C A:VAL198 3.8 9.3 0.5 CA A:VAL198 3.8 10.1 0.6 C A:VAL198 3.8 9.4 0.6 O A:HOH677 3.8 30.3 1.0 CA A:LYS199 3.9 9.2 1.0 CG2 A:VAL198 4.0 12.1 0.5 HG22 A:VAL198 4.0 14.5 0.5 O A:PRO197 4.1 10.8 1.0 CD A:LYS199 4.1 13.2 1.0 HE3 A:LYS199 4.2 17.6 1.0 HG13 A:VAL198 4.2 15.8 0.6 CB A:VAL198 4.3 10.3 0.5 O A:HOH861 4.4 39.9 1.0 O A:LYS199 4.5 10.2 1.0 HG2 A:LYS199 4.5 13.8 1.0 HB3 A:LYS199 4.5 12.6 1.0 N A:VAL198 4.6 9.4 0.5 HB A:VAL198 4.6 12.4 0.5 N A:VAL198 4.6 9.6 0.6 O A:HOH815 4.6 35.0 1.0 HA A:LYS199 4.6 11.1 1.0 C A:PRO197 4.7 9.5 1.0 C A:LYS199 4.7 8.8 1.0 HG12 A:VAL198 4.7 15.8 0.6 CE A:LYS199 4.8 14.7 1.0 HG21 A:VAL198 4.8 14.5 0.5 CG1 A:VAL198 4.8 13.2 0.6 O A:HOH808 4.9 29.1 1.0 CB A:VAL198 4.9 11.9 0.6 HD3 A:LYS199 5.0 15.9 1.0 O A:VAL198 5.0 9.4 0.5

M.W.Vetting, R.Toro, R.Bhosle, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, S.Sojitra, S.Zhao, M.Stead, J.D.Attonito, A.Scott Glenn, S.Chowdhury, B.Evans, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, M.P.Jacobson, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Oneidensis (SO_3134), Target Efi-510275, with Bound Succinate To Be Published.