Chlorine in PDB 4dn1: Crystal Structure of An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate

The structure of Crystal Structure of An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate, PDB code: 4dn1 was solved by M.W.Vetting, R.Toro, R.Bhosle, J.T.Bouvier, S.R.Wasserman, L.L.Morisco, S.Sojitra, N.F.Al Obaidi, 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)	41.71 / 2.05
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	102.360, 102.360, 369.620, 90.00, 90.00, 120.00
R / Rfree (%)	16.1 / 19.4

The structure of Crystal Structure of An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate (pdb code 4dn1). 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 An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate, PDB code: 4dn1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate


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 An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:16.4 occ:0.52 CL B:CL402 0.0 16.4 0.5 CL B:CL402 2.0 17.7 0.5 N B:PHE118 3.1 14.8 1.0 N A:PHE118 3.3 16.7 1.0 N B:TYR119 3.4 15.8 1.0 O B:HOH568 3.4 24.1 1.0 CD2 A:PHE118 3.6 19.7 1.0 O B:GLY116 3.6 15.4 1.0 CA A:GLY117 3.7 12.9 1.0 C B:GLY117 3.8 16.9 1.0 CA B:GLY117 3.8 22.1 1.0 CA B:PHE118 3.9 13.7 1.0 CB B:PHE118 4.0 12.1 1.0 C A:GLY117 4.0 19.0 1.0 C B:PHE118 4.1 17.4 1.0 CB A:PHE118 4.1 15.1 1.0 CB B:TYR119 4.1 11.8 1.0 C B:GLY116 4.2 17.5 1.0 O A:HOH526 4.3 25.4 1.0 CG A:PHE118 4.3 15.9 1.0 CA A:PHE118 4.3 15.1 1.0 CA B:TYR119 4.3 13.3 1.0 N B:GLY117 4.4 17.3 1.0 CD1 B:TYR114 4.5 15.5 1.0 CE2 A:PHE118 4.5 19.9 1.0 CD2 B:PHE118 4.6 18.9 1.0 N A:GLY117 4.7 18.4 1.0 O A:GLY116 4.7 17.6 1.0 N A:TYR119 4.7 16.7 1.0 CG B:PHE118 4.8 13.1 1.0 O B:GLY117 4.8 14.7 1.0 CB B:TYR114 4.9 13.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate


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 An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:17.7 occ:0.48 CL B:CL402 0.0 17.7 0.5 CL B:CL402 2.0 16.4 0.5 N A:PHE118 3.2 16.7 1.0 N B:PHE118 3.2 14.8 1.0 N A:TYR119 3.3 16.7 1.0 O A:HOH526 3.4 25.4 1.0 CD2 B:PHE118 3.4 18.9 1.0 O A:GLY116 3.6 17.6 1.0 CA B:GLY117 3.7 22.1 1.0 C A:GLY117 3.9 19.0 1.0 CA A:GLY117 3.9 12.9 1.0 CA A:PHE118 3.9 15.1 1.0 C B:GLY117 4.0 16.9 1.0 CB B:PHE118 4.0 12.1 1.0 CB A:TYR119 4.0 11.7 1.0 CB A:PHE118 4.0 15.1 1.0 C A:PHE118 4.1 14.4 1.0 CG B:PHE118 4.2 13.1 1.0 CA B:PHE118 4.2 13.7 1.0 CA A:TYR119 4.3 12.4 1.0 C A:GLY116 4.3 16.3 1.0 CE2 B:PHE118 4.3 17.3 1.0 CD1 A:TYR114 4.4 11.4 1.0 O B:HOH568 4.4 24.1 1.0 N A:GLY117 4.5 18.4 1.0 CD2 A:PHE118 4.7 19.7 1.0 N B:GLY117 4.7 17.3 1.0 N B:TYR119 4.8 15.8 1.0 O B:GLY116 4.8 15.4 1.0 CG A:PHE118 4.9 15.9 1.0 O A:GLY117 4.9 13.0 1.0 CB A:TYR114 5.0 17.1 1.0

M.W.Vetting, R.Toro, R.Bhosle, J.T.Bouvier, S.R.Wasserman, L.L.Morisco, S.Sojitra, N.F.Al Obaidi, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate To Be Published.