Chlorine in PDB 4f71: Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, Wild-Type Protein, Complex with Magnesium and Inorganic Phosphate

The structure of Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, Wild-Type Protein, Complex with Magnesium and Inorganic Phosphate, PDB code: 4f71 was solved by Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, K.N.Allen, D.Dunaway-Mariano, 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)	50.00 / 2.27
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.595, 76.824, 118.086, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 25.8

The structure of Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, Wild-Type Protein, Complex with Magnesium and Inorganic Phosphate also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, Wild-Type Protein, Complex with Magnesium and Inorganic Phosphate (pdb code 4f71). 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 Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, Wild-Type Protein, Complex with Magnesium and Inorganic Phosphate, PDB code: 4f71:

Chlorine binding site 1 out of 1 in the Crystal Structure of Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, Wild-Type Protein, Complex with Magnesium and Inorganic Phosphate


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 Had Family Enzyme Bt-2542 (Target Efi-501088) From Bacteroides Thetaiotaomicron, Wild-Type Protein, Complex with Magnesium and Inorganic Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:70.0 occ:1.00 N A:ASP77 3.1 51.5 1.0 O A:HOH426 3.2 49.8 1.0 CB A:ASP77 3.6 49.8 1.0 CG A:ASP77 3.6 51.4 1.0 OD2 A:ASP77 3.7 57.4 1.0 CA A:SER76 3.9 53.2 1.0 CB A:SER76 3.9 49.3 1.0 CA A:ASP77 3.9 52.6 1.0 C A:SER76 4.0 52.2 1.0 OD1 A:ASP77 4.1 56.7 1.0 OG A:SER76 4.8 52.3 1.0 N A:LYS78 4.9 52.3 1.0 C A:ASP77 5.0 50.8 1.0

Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, K.N.Allen, D.Dunaway-Mariano, S.C.Almo, J.A.Gerlt. Crystal Structure of Protein Bt-2542 From Bacteroides Thetaiotaomicron (Target Efi-501088) To Be Published.