Chlorine in PDB 6bg8: Shewanella Frigidimarina Ice-Binding PROTEIN_1 DUF3494 Domain

The structure of Shewanella Frigidimarina Ice-Binding PROTEIN_1 DUF3494 Domain, PDB code: 6bg8 was solved by T.D.R.Vance, P.L.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.67 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.288, 80.278, 72.736, 90.00, 105.52, 90.00
R / Rfree (%)	18.4 / 21.7

The binding sites of Chlorine atom in the Shewanella Frigidimarina Ice-Binding PROTEIN_1 DUF3494 Domain (pdb code 6bg8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Shewanella Frigidimarina Ice-Binding PROTEIN_1 DUF3494 Domain, PDB code: 6bg8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Shewanella Frigidimarina Ice-Binding PROTEIN_1 DUF3494 Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Shewanella Frigidimarina Ice-Binding PROTEIN_1 DUF3494 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:34.9 occ:1.00 O A:HOH707 3.0 18.8 1.0 NH1 A:ARG185 3.6 7.1 1.0 O A:HOH443 3.7 20.6 1.0 NH2 A:ARG185 3.7 9.8 1.0 CZ A:ARG185 4.1 8.8 1.0 CB A:ALA187 4.3 8.2 1.0 CA A:GLY159 4.3 6.0 1.0 O A:HOH574 4.4 14.8 1.0 O A:HOH511 4.8 18.5 1.0 O A:HOH769 4.9 30.0 1.0

Chlorine binding site 2 out of 2 in the Shewanella Frigidimarina Ice-Binding PROTEIN_1 DUF3494 Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Shewanella Frigidimarina Ice-Binding PROTEIN_1 DUF3494 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:33.2 occ:1.00 O A:HOH521 3.0 30.1 1.0 N A:LYS180 3.3 6.4 1.0 O A:HOH604 3.3 16.5 1.0 N A:ALA179 3.6 8.8 1.0 CB A:LYS180 3.8 7.8 1.0 CB A:ALA179 3.8 9.9 1.0 CB A:GLN178 4.0 9.4 1.0 O A:HOH708 4.0 32.8 1.0 CG A:LYS180 4.0 14.0 1.0 CA A:ALA179 4.0 7.4 1.0 C A:ALA179 4.1 8.2 1.0 CD A:LYS180 4.1 20.9 1.0 CA A:LYS180 4.1 11.5 1.0 CB A:ALA237 4.1 20.1 1.0 C A:GLN178 4.2 8.8 1.0 OE1 A:GLN178 4.3 16.7 1.0 N A:ASN238 4.3 22.4 1.0 CA A:GLN178 4.5 9.6 1.0 CA A:ALA237 4.5 18.7 1.0 CG A:GLN178 4.8 10.3 1.0 C A:ALA237 4.9 20.9 1.0 CD A:GLN178 4.9 18.0 1.0

T.D.R.Vance, L.A.Graham, P.L.Davies. An Ice-Binding and Tandem Beta-Sandwich Domain-Containing Protein in Shewanella Frigidimarina Is A Potential New Type of Ice Adhesin. Febs J. V. 285 1511 2018.
ISSN: ISSN 1742-4658
PubMed: 29498209
DOI: 10.1111/FEBS.14424