Chlorine in PDB 4z2h: Serratia Marcescens Chitinase B Complexed with Macrolide Inhibitor 29

All present enzymatic activity of Serratia Marcescens Chitinase B Complexed with Macrolide Inhibitor 29:
3.2.1.14;

The structure of Serratia Marcescens Chitinase B Complexed with Macrolide Inhibitor 29, PDB code: 4z2h was solved by N.Maita, A.Sugawara, T.Sunazuka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.30 / 2.35
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	97.997, 97.997, 196.970, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 19.8

The binding sites of Chlorine atom in the Serratia Marcescens Chitinase B Complexed with Macrolide Inhibitor 29 (pdb code 4z2h). 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 Serratia Marcescens Chitinase B Complexed with Macrolide Inhibitor 29, PDB code: 4z2h:

Chlorine binding site 1 out of 1 in the Serratia Marcescens Chitinase B Complexed with Macrolide Inhibitor 29


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Serratia Marcescens Chitinase B Complexed with Macrolide Inhibitor 29 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:61.5 occ:1.00 NH2 A:ARG89 3.5 16.4 1.0 C3 A:GOL505 3.8 61.1 1.0 NH1 A:ARG89 3.9 15.6 1.0 O A:HOH640 4.0 19.5 1.0 CZ A:ARG89 4.1 16.1 1.0 CD A:PRO178 4.2 20.0 1.0 NE2 A:GLN180 4.3 15.1 1.0 C2 A:GOL505 4.4 58.0 1.0 O A:ALA176 4.7 34.5 1.0 CG A:PRO178 4.8 17.8 1.0 O3 A:GOL505 5.0 44.3 1.0

A.Sugawara, N.Maita, H.Gouda, T.Yamamoto, T.Hirose, S.Kimura, Y.Saito, H.Nakano, T.Kasai, H.Nakano, K.Shiomi, S.Hirono, T.Watanabe, H.Taniguchi, S.Omura, T.Sunazuka. Creation of Customized Bioactivity Within A 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using A Family-18 Chitinase J.Med.Chem. V. 58 4984 2015.
ISSN: ISSN 0022-2623
PubMed: 26030312
DOI: 10.1021/ACS.JMEDCHEM.5B00175