Chlorine in PDB 3bwz: Crystal Structure of the Type II Cohesin Module From the Cellulosome of Acetivibrio Cellulolyticus with An Extended Linker Conformation

The structure of Crystal Structure of the Type II Cohesin Module From the Cellulosome of Acetivibrio Cellulolyticus with An Extended Linker Conformation, PDB code: 3bwz was solved by I.Noach, R.Lamed, L.J.W.Shimon, E.Bayer, F.Frolow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.09 / 1.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.455, 55.780, 87.912, 90.00, 90.00, 90.00
R / Rfree (%)	12.2 / 15.2

The binding sites of Chlorine atom in the Crystal Structure of the Type II Cohesin Module From the Cellulosome of Acetivibrio Cellulolyticus with An Extended Linker Conformation (pdb code 3bwz). 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 Type II Cohesin Module From the Cellulosome of Acetivibrio Cellulolyticus with An Extended Linker Conformation, PDB code: 3bwz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Type II Cohesin Module From the Cellulosome of Acetivibrio Cellulolyticus with An Extended Linker Conformation


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 Type II Cohesin Module From the Cellulosome of Acetivibrio Cellulolyticus with An Extended Linker Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:19.7 occ:1.00 OE2 A:GLU108 2.7 8.6 0.5 O A:HOH325 2.8 10.8 1.0 OG A:SER72 2.8 9.9 1.0 OE1 A:GLU108 2.8 10.0 0.5 CD A:GLU108 3.4 9.6 0.5 CB A:SER72 3.4 9.4 1.0 CE1 A:PHE74 3.5 10.2 1.0 CD A:GLU108 3.7 8.8 0.5 OH A:TYR95 3.8 9.2 1.0 CE1 A:TYR101 4.0 9.1 1.0 CG A:GLU108 4.0 9.7 0.5 OE2 A:GLU108 4.1 8.8 0.5 CG A:GLU108 4.1 10.0 0.5 O A:HOH303 4.3 9.5 0.5 CD1 A:TYR101 4.3 9.1 1.0 CD1 A:PHE74 4.3 9.6 1.0 CE1 A:TYR95 4.3 9.0 1.0 CZ A:TYR95 4.3 8.6 1.0 CZ A:PHE74 4.5 10.3 1.0 OE1 A:GLU108 4.7 9.6 0.5 CA A:SER72 4.8 8.8 1.0 O A:ALA106 4.9 10.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Type II Cohesin Module From the Cellulosome of Acetivibrio Cellulolyticus with An Extended Linker Conformation


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 Type II Cohesin Module From the Cellulosome of Acetivibrio Cellulolyticus with An Extended Linker Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:22.6 occ:1.00 O A:ASN138 2.8 10.1 1.0 NH1 A:ARG152 2.9 16.7 1.0 CL A:CL301 2.9 17.1 1.0 O A:HOH304 3.1 0.8 1.0 CD A:ARG152 3.6 12.9 1.0 C A:ASN138 3.9 7.9 1.0 CZ A:ARG152 3.9 16.7 1.0 CB A:ASN138 3.9 13.4 1.0 CB A:ARG152 4.1 10.9 1.0 CG1 A:VAL144 4.1 9.4 1.0 NE A:ARG152 4.2 14.2 1.0 O A:ILE153 4.2 13.6 1.0 CG A:ARG152 4.2 12.2 1.0 CD1 A:ILE140 4.4 12.8 1.0 CG1 A:ILE140 4.4 10.4 1.0 CA A:ASN138 4.5 9.9 1.0 CG2 A:VAL144 4.5 9.7 1.0 CA A:GLN154 4.5 15.5 1.0 CA A:VAL144 4.5 7.2 1.0 O A:THR143 4.6 7.7 1.0 CB A:VAL144 4.6 7.7 1.0 C A:ILE153 4.8 12.0 1.0 N A:ALA139 4.9 8.3 1.0 CG A:ASN138 4.9 12.3 1.0 CA A:ALA139 5.0 8.9 1.0 N A:ILE140 5.0 8.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Type II Cohesin Module From the Cellulosome of Acetivibrio Cellulolyticus with An Extended Linker Conformation


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 Type II Cohesin Module From the Cellulosome of Acetivibrio Cellulolyticus with An Extended Linker Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:17.1 occ:1.00 O A:HOH304 2.4 0.8 1.0 O A:ILE153 2.7 13.6 1.0 OH A:TYR157 2.9 9.1 1.0 CL A:CL202 2.9 22.6 1.0 N A:LEU145 2.9 6.8 1.0 CA A:VAL144 3.4 7.2 1.0 C A:VAL144 3.7 7.4 1.0 O A:LEU145 3.7 8.7 1.0 CZ A:TYR157 3.8 8.5 1.0 C A:ILE153 3.8 12.0 1.0 O A:THR143 3.8 7.7 1.0 CE2 A:TYR157 3.8 9.4 1.0 CA A:LEU145 3.9 7.0 1.0 CB A:LEU145 4.1 8.0 1.0 CD1 A:ILE140 4.2 12.8 1.0 CG1 A:VAL144 4.2 9.4 1.0 N A:VAL144 4.3 6.6 1.0 C A:LEU145 4.3 7.4 1.0 N A:ILE153 4.4 10.6 1.0 CG A:LEU145 4.4 7.9 1.0 C A:THR143 4.4 6.5 1.0 CB A:VAL144 4.4 7.7 1.0 CA A:ILE153 4.6 11.6 1.0 CG1 A:ILE140 4.7 10.4 1.0 N A:GLN154 4.7 13.9 1.0 CA A:GLN154 4.8 15.5 1.0 CB A:ILE153 4.8 10.7 1.0 CB A:ARG152 4.9 10.9 1.0 O A:VAL144 4.9 7.9 1.0 O A:ASN138 4.9 10.1 1.0 CG2 A:VAL144 4.9 9.7 1.0

I.Noach, F.Frolow, O.Alber, R.Lamed, L.J.Shimon, E.A.Bayer. Intermodular Linker Flexibility Revealed From Crystal Structures of Adjacent Cellulosomal Cohesins of Acetivibrio Cellulolyticus. J.Mol.Biol. V. 391 86 2009.
ISSN: ISSN 0022-2836
PubMed: 19501595
DOI: 10.1016/J.JMB.2009.06.006