Chlorine in PDB 5w8c: The Structure of A Coa-Dependent Acyl-Homoserine Lactone Synthase, Bjai, with Mta and Isovaleryl-Coa

The structure of The Structure of A Coa-Dependent Acyl-Homoserine Lactone Synthase, Bjai, with Mta and Isovaleryl-Coa, PDB code: 5w8c was solved by S.-H.Dong, S.K.Nair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.85
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.742, 90.742, 98.393, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 19.4

The binding sites of Chlorine atom in the The Structure of A Coa-Dependent Acyl-Homoserine Lactone Synthase, Bjai, with Mta and Isovaleryl-Coa (pdb code 5w8c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Structure of A Coa-Dependent Acyl-Homoserine Lactone Synthase, Bjai, with Mta and Isovaleryl-Coa, PDB code: 5w8c:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Structure of A Coa-Dependent Acyl-Homoserine Lactone Synthase, Bjai, with Mta and Isovaleryl-Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of A Coa-Dependent Acyl-Homoserine Lactone Synthase, Bjai, with Mta and Isovaleryl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:16.4 occ:1.00 O A:HOH499 3.0 38.1 1.0 O A:HOH601 3.1 31.7 1.0 N A:ARG103 3.2 12.5 1.0 NH1 A:ARG103 3.2 13.3 1.0 CB A:SER102 3.7 12.3 1.0 CD A:ARG103 3.7 13.2 1.0 CZ3 A:TRP34 3.8 15.5 1.0 CA A:ARG103 3.8 12.8 1.0 O17 A:IVC301 3.9 23.9 1.0 CG A:ARG103 4.1 12.9 1.0 CS A:MTA302 4.1 18.8 1.0 CA A:SER102 4.2 12.3 1.0 C A:SER102 4.2 12.3 1.0 CZ A:ARG103 4.3 13.5 1.0 CH2 A:TRP34 4.3 15.4 1.0 C22 A:IVC301 4.3 24.4 1.0 NE A:ARG103 4.4 13.3 1.0 CE A:MET78 4.5 21.2 1.0 OG A:SER102 4.6 12.7 1.0 CB A:ARG103 4.6 12.9 1.0 C21 A:IVC301 4.8 23.4 1.0 S1 A:IVC301 4.8 24.9 1.0 C8 A:MTA302 4.8 16.8 1.0 CE3 A:TRP34 4.9 15.2 1.0 CE1 A:PHE28 5.0 15.6 1.0

Chlorine binding site 2 out of 2 in the The Structure of A Coa-Dependent Acyl-Homoserine Lactone Synthase, Bjai, with Mta and Isovaleryl-Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of A Coa-Dependent Acyl-Homoserine Lactone Synthase, Bjai, with Mta and Isovaleryl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:19.2 occ:1.00 NH2 A:ARG43 3.3 15.9 1.0 NH1 A:ARG43 3.4 15.9 1.0 CZ A:ARG43 3.8 16.0 1.0 CG1 A:VAL45 4.3 18.4 1.0 O A:HOH631 4.6 26.8 1.0 O A:HOH513 4.6 30.6 1.0 CG2 A:VAL45 4.7 18.1 1.0 CB A:VAL45 4.8 17.8 1.0

S.H.Dong, N.D.Frane, Q.H.Christensen, E.P.Greenberg, R.Nagarajan, S.K.Nair. Molecular Basis For the Substrate Specificity of Quorum Signal Synthases. Proc. Natl. Acad. Sci. V. 114 9092 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28784791
DOI: 10.1073/PNAS.1705400114