Chlorine in PDB 4wiw: Crystal Structure of C-Terminal Domain of Putative Chitinase From Desulfitobacterium Hafniense Dcb-2

The structure of Crystal Structure of C-Terminal Domain of Putative Chitinase From Desulfitobacterium Hafniense Dcb-2, PDB code: 4wiw was solved by C.Chang, C.Tesar, M.Endres, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.14 / 2.64
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	79.933, 346.625, 193.442, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 23.6

The structure of Crystal Structure of C-Terminal Domain of Putative Chitinase From Desulfitobacterium Hafniense Dcb-2 also contains other interesting chemical elements:

Calcium

(Ca)

10 atoms

The binding sites of Chlorine atom in the Crystal Structure of C-Terminal Domain of Putative Chitinase From Desulfitobacterium Hafniense Dcb-2 (pdb code 4wiw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of C-Terminal Domain of Putative Chitinase From Desulfitobacterium Hafniense Dcb-2, PDB code: 4wiw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of C-Terminal Domain of Putative Chitinase From Desulfitobacterium Hafniense Dcb-2


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 C-Terminal Domain of Putative Chitinase From Desulfitobacterium Hafniense Dcb-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl705 b:37.9 occ:1.00 NH1 A:ARG576 3.2 24.7 1.0 NH2 A:ARG576 3.3 24.1 1.0 CZ A:ARG576 3.7 23.5 1.0 CZ A:ARG537 4.0 76.4 1.0 NH2 A:ARG537 4.1 79.9 1.0 CG A:ARG537 4.2 46.7 1.0 NH1 A:ARG537 4.2 84.6 1.0 NE A:ARG537 4.3 62.2 1.0 O A:SER593 4.4 46.2 1.0 CB A:ALA595 4.5 29.1 1.0 CB A:ARG537 4.5 31.8 1.0 N A:ALA595 4.6 35.3 1.0 CD A:ARG537 4.8 56.1 1.0 NE A:ARG576 5.0 22.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of C-Terminal Domain of Putative Chitinase From Desulfitobacterium Hafniense Dcb-2


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 C-Terminal Domain of Putative Chitinase From Desulfitobacterium Hafniense Dcb-2 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl702 b:39.8 occ:1.00 NH2 F:ARG576 3.2 15.2 1.0 NH1 F:ARG576 3.2 15.4 1.0 O F:HOH805 3.4 21.7 1.0 CG F:ARG537 3.5 23.2 1.0 CZ F:ARG576 3.7 17.7 1.0 NE F:ARG537 3.9 56.0 1.0 CZ F:ARG537 4.1 67.8 1.0 CD F:ARG537 4.3 37.9 1.0 NH2 F:ARG537 4.4 70.2 1.0 O F:SER593 4.4 24.9 1.0 CB F:ARG537 4.4 16.8 1.0 NH1 F:ARG537 4.6 67.8 1.0 CB F:ALA595 4.7 14.9 1.0 N F:ALA595 4.8 20.5 1.0

C.Chang, C.Tesar, M.Endres, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg). Crystal Structure of C-Terminal Domain of Putative Chitinase From Desulfitobacterium Hafniense Dcb-2 To Be Published.