Chlorine in PDB 5vgc: Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai

The structure of Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai, PDB code: 5vgc was solved by D.Borek, D.Valleau, T.Skarina, M.C.Jobin, Z.Wawrzak, W.F.Anderson, A.Savchenko, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.01 / 2.60
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	151.376, 151.376, 87.983, 90.00, 90.00, 120.00
R / Rfree (%)	24.5 / 29.7

The structure of Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai also contains other interesting chemical elements:

Calcium

(Ca)

5 atoms

The binding sites of Chlorine atom in the Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai (pdb code 5vgc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai, PDB code: 5vgc:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai


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 the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:28.1 occ:1.00 NE A:ARG186 3.0 31.4 1.0 NH2 A:ARG186 3.2 30.6 1.0 CZ A:ARG186 3.6 36.8 1.0 CB A:ARG186 4.0 26.6 1.0 CG A:ARG186 4.1 28.1 1.0 CD A:ARG186 4.1 27.6 1.0 CB A:ALA181 4.6 16.7 1.0 NH1 A:ARG186 4.9 42.6 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai


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 the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:45.9 occ:1.00 N A:ASN127 3.2 17.6 1.0 O A:HOH418 3.3 14.9 1.0 CA A:PHE126 3.7 17.1 1.0 CB A:ASN127 3.8 20.1 1.0 CB A:PHE126 3.9 18.3 1.0 C A:PHE126 4.0 16.0 1.0 CA A:ASN127 4.1 17.3 1.0 O A:ASN127 4.8 18.1 1.0 O A:ALA125 4.8 19.8 1.0 C A:ASN127 4.9 16.5 1.0 N A:PHE126 5.0 15.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:69.0 occ:1.00 O B:LEU109 3.4 38.2 1.0 OH A:TYR55 3.6 45.8 1.0 N A:GLY87 3.9 21.3 1.0 C B:LEU109 4.0 41.1 1.0 C A:HIS86 4.0 27.2 1.0 N B:ASN111 4.0 58.5 1.0 CA A:GLY87 4.0 22.7 1.0 CB A:HIS86 4.1 37.6 1.0 CB B:ASN111 4.1 53.5 1.0 O A:HIS86 4.1 18.8 1.0 N B:TYR112 4.2 51.5 1.0 CD1 B:TYR112 4.4 57.1 1.0 CA B:LEU109 4.4 41.1 1.0 CA B:ASN111 4.5 53.3 1.0 O B:LEU108 4.6 75.5 1.0 CA A:HIS86 4.7 32.3 1.0 CB B:TYR112 4.8 48.9 1.0 N B:SER110 4.8 45.7 1.0 C B:ASN111 4.8 56.7 1.0 CZ A:TYR55 4.8 43.8 1.0 C B:SER110 4.8 55.5 1.0 CD1 A:LEU89 4.9 17.5 1.0

D.Valleau, D.Little, D.Borek, T.Skarina, A.T.Quaile, R.Di Leo, S.Houliston, A.Lemak, C.Arrowsmith, B.Combes, A.Savchenko. Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai To Be Published.