Chlorine in PDB 3k3s: Crystal Structure of Altronate Hydrolase (Fragment 1-84) From Shigella Flexneri.

The structure of Crystal Structure of Altronate Hydrolase (Fragment 1-84) From Shigella Flexneri., PDB code: 3k3s was solved by J.Hou, M.Chruszcz, X.Xu, B.Le, M.D.Zimmerman, A.Savchenko, A.M.Edwards, A.Joachimiak, W.Minor, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	113.968, 40.218, 121.001, 90.00, 104.33, 90.00
R / Rfree (%)	17.4 / 21.3

The binding sites of Chlorine atom in the Crystal Structure of Altronate Hydrolase (Fragment 1-84) From Shigella Flexneri. (pdb code 3k3s). 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 Altronate Hydrolase (Fragment 1-84) From Shigella Flexneri., PDB code: 3k3s:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Altronate Hydrolase (Fragment 1-84) From Shigella Flexneri.


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 Altronate Hydrolase (Fragment 1-84) From Shigella Flexneri. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl86 b:50.2 occ:1.00 N B:ASP68 3.2 15.7 1.0 CB B:ALA67 3.6 15.2 1.0 CA B:ALA67 3.6 15.4 1.0 O B:HOH448 3.9 30.6 1.0 OD2 B:ASP68 3.9 18.3 1.0 C B:ALA67 3.9 15.8 1.0 O B:HOH249 4.0 32.2 1.0 CG B:ASP68 4.0 17.2 1.0 CB B:ASP68 4.0 16.2 1.0 NH2 D:ARG40 4.1 16.7 1.0 CA B:ASP68 4.2 16.1 1.0 CD B:LYS51 4.3 18.0 1.0 OD1 B:ASP68 4.6 19.0 1.0 CB B:LYS51 4.6 15.8 1.0 OD2 D:ASP18 4.8 14.6 1.0 CG B:LYS51 4.9 16.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Altronate Hydrolase (Fragment 1-84) From Shigella Flexneri.


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 Altronate Hydrolase (Fragment 1-84) From Shigella Flexneri. within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl85 b:47.6 occ:1.00 N G:ASP18 3.3 16.5 1.0 CB G:ALA17 3.7 16.4 1.0 CA G:ALA17 3.8 16.6 1.0 CG G:ASP18 3.9 17.4 1.0 OD2 G:ASP18 3.9 17.3 1.0 CB G:ASP18 3.9 16.4 1.0 C G:ALA17 4.1 16.5 1.0 NH1 B:ARG40 4.1 18.1 1.0 CA G:ASP18 4.2 16.4 1.0 OD1 G:ASP18 4.4 15.0 1.0 O G:ASP18 4.8 15.2 1.0 CZ B:ARG40 5.0 18.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Altronate Hydrolase (Fragment 1-84) From Shigella Flexneri.


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 Altronate Hydrolase (Fragment 1-84) From Shigella Flexneri. within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl85 b:43.3 occ:1.00 NH2 H:ARG40 3.7 20.7 1.0 O H:HOH419 4.1 29.8 1.0 OD2 H:ASP18 4.4 17.7 1.0 CZ H:ARG40 4.7 19.5 1.0

J.Hou, M.Chruszcz, X.Xu, B.Le, M.D.Zimmerman, A.Savchenko, A.M.Edwards, A.Joachimiak, W.Minor. Crystal Structure of Altronate Hydrolase (Fragment 1-84) From Shigella Flexneri. To Be Published.