Chlorine in PDB 4dcc: Crystal Structure of Had Family Enzyme Bt-2542 From Bacteroides Thetaiotaomicron (Target Efi-501088)

The structure of Crystal Structure of Had Family Enzyme Bt-2542 From Bacteroides Thetaiotaomicron (Target Efi-501088), PDB code: 4dcc 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 / 1.65
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.252, 75.424, 131.270, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21

The structure of Crystal Structure of Had Family Enzyme Bt-2542 From Bacteroides Thetaiotaomicron (Target Efi-501088) also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Had Family Enzyme Bt-2542 From Bacteroides Thetaiotaomicron (Target Efi-501088) (pdb code 4dcc). 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 From Bacteroides Thetaiotaomicron (Target Efi-501088), PDB code: 4dcc:

Chlorine binding site 1 out of 1 in the Crystal Structure of Had Family Enzyme Bt-2542 From Bacteroides Thetaiotaomicron (Target Efi-501088)


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 From Bacteroides Thetaiotaomicron (Target Efi-501088) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:43.9 occ:1.00 OD1 A:ASP12 2.8 36.4 1.0 OG A:SER112 2.8 26.5 1.0 O A:HOH583 2.8 32.6 1.0 N A:GLY14 2.9 24.5 1.0 O A:ASN113 3.1 28.2 1.0 CB A:LEU13 3.5 20.3 1.0 CG A:ASP12 3.6 25.4 1.0 CB A:SER112 3.7 24.4 1.0 CA A:GLY14 3.7 23.3 1.0 N A:ASN113 3.7 23.1 1.0 N A:LEU13 3.7 23.7 1.0 OD2 A:ASP12 3.8 35.7 1.0 C A:LEU13 3.9 22.5 1.0 CA A:SER112 3.9 21.3 1.0 CA A:LEU13 3.9 20.8 1.0 C3 A:UNL304 3.9 35.1 1.0 C A:ASN113 4.0 28.0 1.0 O A:HOH598 4.1 47.0 1.0 C A:SER112 4.2 26.3 1.0 CA A:UNL304 4.2 49.9 1.0 C2 A:UNL304 4.4 52.4 1.0 CG A:LEU13 4.4 19.5 1.0 CA A:ASN113 4.4 25.9 1.0 NA A:NA302 4.6 29.0 1.0 CD2 A:LEU13 4.7 24.6 1.0 C A:GLY14 4.8 21.5 1.0 O A:GLY14 4.8 25.3 1.0 C A:ASP12 4.8 25.5 1.0 NZ A:LYS151 4.9 27.3 1.0 CB A:THR114 4.9 22.9 1.0 CB A:ASP12 5.0 22.5 1.0 N A:THR114 5.0 21.6 1.0 CB A:ASN113 5.0 21.8 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, J.A.Gerlt, S.C.Almo. Crystal Structure of Protein Bt-2542 From Bacteroides Thetaiotaomicron (Target Efi-501088) To Be Published.