Chlorine in PDB 2qo3: Crystal Structure of [KS3][AT3] Didomain From Module 3 of 6- Deoxyerthronolide B Synthase

All present enzymatic activity of Crystal Structure of [KS3][AT3] Didomain From Module 3 of 6- Deoxyerthronolide B Synthase:
2.3.1.94;

The structure of Crystal Structure of [KS3][AT3] Didomain From Module 3 of 6- Deoxyerthronolide B Synthase, PDB code: 2qo3 was solved by C.Khosla, E.D.Cane, Y.Tang, Y.A.Chen, C.Y.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.52 / 2.59
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.203, 139.005, 102.342, 90.00, 106.14, 90.00
R / Rfree (%)	21.4 / 26.8

The binding sites of Chlorine atom in the Crystal Structure of [KS3][AT3] Didomain From Module 3 of 6- Deoxyerthronolide B Synthase (pdb code 2qo3). 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 [KS3][AT3] Didomain From Module 3 of 6- Deoxyerthronolide B Synthase, PDB code: 2qo3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of [KS3][AT3] Didomain From Module 3 of 6- Deoxyerthronolide B Synthase


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 [KS3][AT3] Didomain From Module 3 of 6- Deoxyerthronolide B Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:36.2 occ:1.00 NH1 A:ARG314 2.7 21.6 1.0 O A:HOH1017 3.5 24.8 1.0 CZ A:ARG314 4.0 17.5 1.0 NH1 A:ARG318 4.2 25.0 1.0 NH2 A:ARG318 4.3 26.2 1.0 NH2 A:ARG314 4.6 18.1 1.0 CZ A:ARG318 4.7 25.5 1.0 NE A:ARG314 4.9 14.4 1.0 CD A:ARG314 5.0 11.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of [KS3][AT3] Didomain From Module 3 of 6- Deoxyerthronolide B Synthase


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 [KS3][AT3] Didomain From Module 3 of 6- Deoxyerthronolide B Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:29.8 occ:1.00 NH1 B:ARG314 3.5 14.8 1.0 NH1 B:ARG318 4.2 23.3 1.0 NH2 B:ARG315 4.3 29.8 1.0 CD B:ARG314 4.3 11.8 1.0 NE B:ARG315 4.5 24.9 1.0 CZ B:ARG314 4.6 17.2 1.0 CZ B:ARG315 4.8 28.7 1.0 NE B:ARG314 4.9 16.0 1.0

Y.Tang, Y.A.Chen, C.Y.Kim, E.D.Cane, C.Khosla. Structural and Mechanistic Analysis of Protein Interactions in Module 3 of the 6-Deoxyerythronolide B Synthase Chem.Biol. V. 14 931 2007.
ISSN: ISSN 1074-5521
PubMed: 17719492
DOI: 10.1016/J.CHEMBIOL.2007.07.012