Chlorine in PDB 3l6h: Crystal Structure of Lactococcal Opuac in Its Closed-Liganded Conformation Complexed with Glycine Betaine

The structure of Crystal Structure of Lactococcal Opuac in Its Closed-Liganded Conformation Complexed with Glycine Betaine, PDB code: 3l6h was solved by R.P.A.Berntsson, J.C.Wolters, N.Gul, A.Karasawa, A.M.W.H.Thunnissen, D.J.Slotboom, B.Poolman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.78 / 2.30
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	111.706, 111.706, 151.728, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 22.1

The binding sites of Chlorine atom in the Crystal Structure of Lactococcal Opuac in Its Closed-Liganded Conformation Complexed with Glycine Betaine (pdb code 3l6h). 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 Lactococcal Opuac in Its Closed-Liganded Conformation Complexed with Glycine Betaine, PDB code: 3l6h:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Lactococcal Opuac in Its Closed-Liganded Conformation Complexed with Glycine Betaine


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 Lactococcal Opuac in Its Closed-Liganded Conformation Complexed with Glycine Betaine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl576 b:36.2 occ:1.00 O A:HOH136 2.9 35.4 1.0 ND2 A:ASN358 3.4 20.1 1.0 OE1 A:GLN385 3.4 24.8 1.0 O A:THR381 3.6 18.2 1.0 CA A:GLY437 3.6 16.9 1.0 CG A:GLN385 3.7 24.0 1.0 CA A:HIS382 3.7 19.2 1.0 CD2 A:HIS382 4.0 17.4 1.0 CD A:GLN385 4.0 25.2 1.0 CB A:THR384 4.1 24.6 1.0 N A:GLY437 4.1 16.8 1.0 C A:HIS382 4.2 20.6 1.0 OG1 A:THR384 4.3 24.6 1.0 CB A:HIS382 4.4 18.9 1.0 N A:GLN385 4.4 24.4 1.0 N A:THR384 4.4 23.8 1.0 CG A:HIS382 4.5 17.9 1.0 C A:THR381 4.5 18.1 1.0 N A:HIS382 4.6 18.6 1.0 O A:GLY435 4.6 18.7 1.0 N A:LYS383 4.6 21.6 1.0 CG A:ASN358 4.6 19.0 1.0 O A:HIS382 4.7 21.0 1.0 CA A:THR384 4.7 24.8 1.0 C A:ALA436 4.7 17.1 1.0 CB A:GLN385 4.8 24.1 1.0 C A:GLY437 4.9 16.8 1.0 O A:ALA436 4.9 17.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Lactococcal Opuac in Its Closed-Liganded Conformation Complexed with Glycine Betaine


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 Lactococcal Opuac in Its Closed-Liganded Conformation Complexed with Glycine Betaine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl577 b:56.9 occ:1.00 O A:HOH137 2.7 23.7 1.0 O A:HOH29 2.8 19.6 1.0 O A:GLY397 3.1 22.9 1.0 O A:ASP531 3.2 25.8 1.0 O A:LEU396 3.4 26.7 1.0 C A:GLY397 3.6 23.2 1.0 O A:PRO398 3.7 22.0 1.0 C A:LEU396 3.7 25.9 1.0 N A:GLY397 4.0 25.0 1.0 CB A:LEU396 4.1 26.1 1.0 CA A:GLY397 4.1 24.5 1.0 C A:ASP531 4.1 26.1 1.0 CB A:THR513 4.1 19.4 1.0 C A:PRO398 4.1 21.3 1.0 OG1 A:THR513 4.2 19.0 1.0 O A:LEU530 4.2 24.7 1.0 O A:PHE533 4.3 20.8 1.0 N A:PRO398 4.4 22.7 1.0 CA A:ASP531 4.5 26.6 1.0 CA A:LEU396 4.5 26.5 1.0 OD1 A:ASP531 4.6 29.9 1.0 N A:ASN399 4.6 20.2 1.0 CB A:ASN399 4.9 19.4 1.0 CA A:ASN399 4.9 19.9 1.0 CA A:PRO398 4.9 21.6 1.0 N A:THR513 4.9 18.6 1.0

J.C.Wolters, R.P.Berntsson, N.Gul, A.Karasawa, A.M.Thunnissen, D.J.Slotboom, B.Poolman. Ligand Binding and Crystal Structures of the Substrate-Binding Domain of the Abc Transporter Opua. Plos One V. 5 E1036 2010.
ISSN: ESSN 1932-6203
PubMed: 20454456
DOI: 10.1371/JOURNAL.PONE.0010361