Chlorine in PDB 4iu2: Cohesin-Dockerin -X Domain Complex From Ruminococcus Flavefacience

The structure of Cohesin-Dockerin -X Domain Complex From Ruminococcus Flavefacience, PDB code: 4iu2 was solved by O.Salama-Alber, E.Bayer, F.Frolow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.03 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.714, 78.714, 203.238, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 19.6

The structure of Cohesin-Dockerin -X Domain Complex From Ruminococcus Flavefacience also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Chlorine atom in the Cohesin-Dockerin -X Domain Complex From Ruminococcus Flavefacience (pdb code 4iu2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Cohesin-Dockerin -X Domain Complex From Ruminococcus Flavefacience, PDB code: 4iu2:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Cohesin-Dockerin -X Domain Complex From Ruminococcus Flavefacience


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cohesin-Dockerin -X Domain Complex From Ruminococcus Flavefacience within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:62.1 occ:1.00 O A:HOH595 3.3 38.3 1.0 N A:ALA167 3.4 22.0 1.0 O A:HOH446 3.5 23.3 1.0 O A:HOH579 3.6 47.6 1.0 CB A:SER166 3.6 24.8 1.0 CA A:SER166 3.9 24.1 1.0 CB A:ALA167 4.0 18.9 1.0 C A:SER166 4.1 23.4 1.0 CA A:ALA167 4.3 20.8 1.0 O A:HOH551 4.7 32.1 1.0 O A:HOH610 4.8 45.1 1.0 OG A:SER166 4.8 22.6 1.0 O A:HOH657 4.9 47.2 1.0

Chlorine binding site 2 out of 3 in the Cohesin-Dockerin -X Domain Complex From Ruminococcus Flavefacience


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cohesin-Dockerin -X Domain Complex From Ruminococcus Flavefacience within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:79.7 occ:1.00 ND2 A:ASN186 3.0 17.3 1.0 O A:HOH498 3.1 27.2 1.0 OD1 A:ASN186 3.3 24.6 1.0 NZ A:LYS182 3.3 26.7 1.0 O A:HOH550 3.4 37.2 1.0 CG A:ASN186 3.5 23.9 1.0 O A:GLN179 3.7 20.3 1.0 O A:HOH546 3.9 38.6 1.0 O A:HOH441 4.3 26.4 1.0 CE A:LYS182 4.6 26.2 1.0 C A:GLN179 4.7 17.2 1.0 CD A:LYS182 4.8 22.4 1.0 CA A:GLN179 4.9 16.0 1.0 O A:HOH518 4.9 47.1 1.0 O A:HOH463 5.0 31.2 1.0

Chlorine binding site 3 out of 3 in the Cohesin-Dockerin -X Domain Complex From Ruminococcus Flavefacience


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cohesin-Dockerin -X Domain Complex From Ruminococcus Flavefacience within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:69.5 occ:1.00 N B:LYS188 3.4 43.4 1.0 CG B:LYS188 3.7 60.2 1.0 CB B:LYS188 3.8 48.0 1.0 OE1 B:GLU189 3.9 75.9 1.0 CD B:LYS188 3.9 68.4 1.0 CA B:GLY187 4.0 42.2 1.0 C B:GLY187 4.2 43.5 1.0 CA B:LYS188 4.2 46.7 1.0 CE B:LYS188 4.3 70.3 1.0 O B:HOH583 4.5 48.9 1.0 O B:ALA186 4.9 41.6 1.0 NZ B:LYS188 5.0 74.4 1.0

O.Salama-Alber, M.K.Jobby, S.Chitayat, S.P.Smith, B.A.White, L.J.Shimon, R.Lamed, F.Frolow, E.A.Bayer. Atypical Cohesin-Dockerin Complex Responsible For Cell Surface Attachment of Cellulosomal Components: Binding Fidelity, Promiscuity, and Structural Buttresses. J.Biol.Chem. V. 288 16827 2013.
ISSN: ISSN 0021-9258
PubMed: 23580648
DOI: 10.1074/JBC.M113.466672