Chlorine in PDB 1j0h: Crystal Structure of Bacillus Stearothermophilus Neopullulanase

All present enzymatic activity of Crystal Structure of Bacillus Stearothermophilus Neopullulanase:
3.2.1.135;

The structure of Crystal Structure of Bacillus Stearothermophilus Neopullulanase, PDB code: 1j0h was solved by H.Hondoh, T.Kuriki, Y.Matsuura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.713, 72.762, 123.640, 90.00, 90.84, 90.00
R / Rfree (%)	16.3 / 20.3

The structure of Crystal Structure of Bacillus Stearothermophilus Neopullulanase also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Bacillus Stearothermophilus Neopullulanase (pdb code 1j0h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Bacillus Stearothermophilus Neopullulanase, PDB code: 1j0h:

Chlorine binding site 1 out of 1 in the Crystal Structure of Bacillus Stearothermophilus Neopullulanase


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 Bacillus Stearothermophilus Neopullulanase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl600 b:17.9 occ:1.00 NE A:ARG231 3.1 15.1 1.0 NH2 A:ARG231 3.3 12.4 1.0 CG2 A:THR227 3.5 14.7 1.0 CZ A:ARG231 3.6 14.5 1.0 CG2 A:ILE179 4.0 11.2 1.0 CD A:ARG231 4.2 14.9 1.0 O A:HOH1428 4.5 21.9 1.0 CG A:ARG231 4.5 13.5 1.0 CB A:ARG231 4.8 12.8 1.0 NH1 A:ARG231 5.0 13.0 1.0 CB A:THR227 5.0 15.5 1.0

H.Hondoh, T.Kuriki, Y.Matsuura. Three-Dimensional Structure and Substrate Binding of Bacillus Stearothermophilus Neopullulanase J.Mol.Biol. V. 326 177 2003.
ISSN: ISSN 0022-2836
PubMed: 12547200
DOI: 10.1016/S0022-2836(02)01402-X