Chlorine in PDB 4glj: Crystal Structure of Methylthioadenosine Phosphorylase in Complex with Rhodamine B

The structure of Crystal Structure of Methylthioadenosine Phosphorylase in Complex with Rhodamine B, PDB code: 4glj was solved by A.Bujacz, G.Bujacz, H.Cieslinski, P.Bartasun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	80.260, 80.260, 81.260, 90.00, 90.00, 120.00
R / Rfree (%)	15.5 / 20.4

The binding sites of Chlorine atom in the Crystal Structure of Methylthioadenosine Phosphorylase in Complex with Rhodamine B (pdb code 4glj). 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 Methylthioadenosine Phosphorylase in Complex with Rhodamine B, PDB code: 4glj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Methylthioadenosine Phosphorylase in Complex with Rhodamine B


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 Methylthioadenosine Phosphorylase in Complex with Rhodamine B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:62.5 occ:0.50 C12 A:RHB302 2.4 61.5 0.5 C36 A:RHB302 2.4 68.2 0.5 C35 A:RHB302 3.1 65.9 0.5 N1 A:RHB302 3.2 63.6 0.5 C11 A:RHB302 3.2 64.7 0.5 C13 A:RHB302 3.3 61.8 0.5 OD2 A:ASP222 3.4 68.2 1.0 ND2 A:ASN229 3.4 0.3 1.0 O3 A:RHB302 3.5 61.5 0.5 O A:SER234 3.6 0.2 1.0 CB A:SER234 3.9 0.4 1.0 C26 A:RHB302 4.0 65.1 0.5 C A:SER234 4.2 0.1 1.0 O A:HOH576 4.2 64.3 1.0 O2 A:RHB302 4.2 63.1 0.5 CB A:ASN229 4.2 0.8 1.0 CG A:ASN229 4.3 0.0 1.0 C10 A:RHB302 4.5 63.6 0.5 CG A:ASP222 4.6 64.7 1.0 C8 A:RHB302 4.6 58.0 0.5 C22 A:RHB302 4.6 64.3 0.5 CA A:SER234 4.6 0.3 1.0 CB A:ALA238 4.6 0.5 1.0 OG A:SER234 4.9 0.8 1.0 N A:ALA235 4.9 0.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Methylthioadenosine Phosphorylase in Complex with Rhodamine B


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 Methylthioadenosine Phosphorylase in Complex with Rhodamine B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:61.5 occ:0.50 C24 A:RHB301 2.3 58.4 0.5 C25 A:RHB301 2.6 58.1 0.5 N2 A:RHB301 3.4 63.0 0.5 C33 A:RHB301 3.5 63.6 0.5 C34 A:RHB301 3.9 62.3 0.5 O A:GLY68 4.1 39.2 1.0 C5 A:RHB301 4.3 61.0 0.5 CB A:HIS69 4.4 34.9 1.0 C A:GLY68 4.6 37.5 1.0 C4 A:RHB301 4.9 65.3 0.5

P.Bartasun, H.Cieslinski, A.Bujacz, A.Wierzbicka-Wos, J.Kur. A Study on the Interaction of Rhodamine B with Methylthioadenosine Phosphorylase Protein Sourced From An Antarctic Soil Metagenomic Library. Plos One V. 8 55697 2013.
ISSN: ESSN 1932-6203
PubMed: 23383268
DOI: 10.1371/JOURNAL.PONE.0055697