Chlorine in PDB 8q1w: TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913

The structure of TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913, PDB code: 8q1w was solved by B.S.Rajagopal, G.R.Hemsworth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.46 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	38.548, 38.659, 44.049, 90.48, 90.59, 94.48
R / Rfree (%)	19.5 / 24

The structure of TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913 also contains other interesting chemical elements:

Sodium	(Na)	3 atoms
Iron	(Fe)	3 atoms

The binding sites of Chlorine atom in the TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913 (pdb code 8q1w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913, PDB code: 8q1w:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:8.0 occ:1.00 H A:MET27 2.2 10.7 1.0 H C:ALA16 2.3 13.0 1.0 H A:ASP29 2.4 11.8 1.0 HA3 A:GLY25 2.6 10.3 1.0 HA C:ASN15 2.9 10.8 1.0 HG3 A:MET27 2.9 12.1 1.0 HB3 A:ASP29 2.9 15.9 1.0 H A:ALA26 3.0 10.6 1.0 N A:MET27 3.1 10.5 1.0 N A:ASP29 3.2 11.7 1.0 N C:ALA16 3.2 13.0 1.0 HB2 A:ASP29 3.3 16.0 1.0 N A:ALA26 3.3 10.6 1.0 HG2 A:MET27 3.3 12.1 1.0 CA A:GLY25 3.4 10.3 1.0 CB A:ASP29 3.4 15.8 1.0 HB3 C:ALA16 3.4 14.6 1.0 H A:GLY28 3.5 10.1 1.0 C A:GLY25 3.6 10.4 1.0 CG A:MET27 3.6 12.0 1.0 CA A:ASP29 3.6 13.3 1.0 H A:GLY30 3.7 11.8 1.0 N A:GLY28 3.7 10.1 1.0 C A:ASP29 3.8 12.7 1.0 CA C:ASN15 3.8 10.7 1.0 HA2 A:GLY25 3.8 10.3 1.0 HD21 C:ASN15 3.8 11.4 1.0 HB2 C:ALA16 3.8 14.6 1.0 N A:GLY30 3.8 11.7 1.0 C A:MET27 3.9 10.1 1.0 CA A:MET27 3.9 10.7 1.0 CB C:ALA16 4.0 14.8 1.0 HB3 A:ALA26 4.0 11.1 1.0 C C:ASN15 4.0 11.8 1.0 CG C:ASN15 4.0 11.1 1.0 O C:HOH213 4.0 22.4 1.0 ND2 C:ASN15 4.0 11.6 1.0 C A:ALA26 4.1 11.0 1.0 CA A:ALA26 4.1 10.9 1.0 O A:HIS24 4.2 8.8 1.0 CA C:ALA16 4.2 14.3 1.0 H C:THR17 4.3 15.1 1.0 CB C:ASN15 4.3 10.8 1.0 C A:GLY28 4.3 10.7 1.0 CB A:MET27 4.3 11.3 1.0 OD1 C:ASN15 4.3 10.8 1.0 O A:ASP29 4.4 13.1 1.0 O A:GLY25 4.4 9.7 1.0 HB2 C:ASN15 4.5 10.9 1.0 O A:MET27 4.6 9.3 1.0 CB A:ALA26 4.6 11.2 1.0 N A:GLY25 4.6 10.2 1.0 CA A:GLY28 4.6 10.3 1.0 HA2 A:GLY30 4.6 11.4 1.0 HA A:ASP29 4.6 13.3 1.0 HD22 C:ASN15 4.6 11.4 1.0 CA A:GLY30 4.7 11.2 1.0 O C:ALA14 4.8 10.0 1.0 HA3 A:GLY30 4.8 11.3 1.0 C A:HIS24 4.8 9.0 1.0 HA A:MET27 4.8 10.7 1.0 N C:ASN15 4.9 10.1 1.0 CG A:ASP29 4.9 19.7 1.0 HA C:ALA16 4.9 14.1 1.0 HB1 C:ALA16 4.9 14.6 1.0 HB2 A:MET27 4.9 11.3 1.0 HB2 A:ALA26 5.0 11.1 1.0 HA2 A:GLY28 5.0 10.3 1.0

Chlorine binding site 2 out of 2 in the TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl102 b:8.8 occ:1.00 H B:ALA16 2.3 11.8 1.0 H C:MET27 2.4 9.2 1.0 H C:ASP29 2.4 12.9 1.0 HA3 C:GLY25 2.7 8.0 1.0 HA B:ASN15 2.8 9.9 1.0 HB2 C:ASP29 2.9 17.2 1.0 H C:ALA26 3.0 8.7 1.0 N B:ALA16 3.2 11.8 1.0 HG3 C:MET27 3.2 11.0 1.0 HG2 C:MET27 3.2 11.0 1.0 N C:ASP29 3.2 12.9 1.0 N C:MET27 3.3 8.9 1.0 HB3 B:ALA16 3.3 13.3 1.0 N C:ALA26 3.4 8.7 1.0 H C:GLY28 3.5 9.6 1.0 CA C:GLY25 3.5 7.9 1.0 HB2 B:ALA16 3.6 13.3 1.0 O B:HOH217 3.7 15.3 1.0 CG C:MET27 3.7 11.1 1.0 H C:GLY30 3.7 12.8 1.0 CA B:ASN15 3.7 9.9 1.0 C C:GLY25 3.7 8.5 1.0 CB C:ASP29 3.7 17.0 1.0 CA C:ASP29 3.7 14.8 1.0 C C:ASP29 3.7 13.7 1.0 N C:GLY28 3.8 9.6 1.0 N C:GLY30 3.8 12.8 1.0 CB B:ALA16 3.8 13.4 1.0 C C:MET27 3.9 9.1 1.0 C B:ASN15 3.9 10.9 1.0 HA2 C:GLY25 3.9 8.0 1.0 CA C:MET27 4.0 9.4 1.0 CG B:ASN15 4.1 10.5 1.0 ND2 B:ASN15 4.1 10.4 1.0 HB3 C:ALA26 4.1 8.8 1.0 CA B:ALA16 4.1 13.0 1.0 HD21 B:ASN15 4.1 10.5 1.0 O C:HIS24 4.2 7.0 1.0 C C:ALA26 4.2 9.5 1.0 CA C:ALA26 4.3 8.8 1.0 H B:THR17 4.3 14.3 1.0 O C:ASP29 4.3 13.2 1.0 C C:GLY28 4.4 11.6 1.0 HD22 B:ASN15 4.4 10.5 1.0 CB B:ASN15 4.4 9.9 1.0 HB3 C:ASP29 4.4 17.2 1.0 OD1 B:ASN15 4.4 11.0 1.0 CB C:MET27 4.4 9.9 1.0 HA2 C:GLY30 4.5 12.2 1.0 CG C:ASP29 4.6 20.9 1.0 CA C:GLY30 4.6 12.2 1.0 O C:MET27 4.6 8.9 1.0 CA C:GLY28 4.6 10.3 1.0 N C:GLY25 4.6 7.7 1.0 O C:GLY25 4.6 9.2 1.0 HA3 C:GLY30 4.6 12.2 1.0 HB2 B:ASN15 4.7 10.1 1.0 CB C:ALA26 4.7 8.8 1.0 HA C:ASP29 4.7 14.6 1.0 O B:ALA14 4.7 8.2 1.0 HA B:ALA16 4.7 12.9 1.0 HB1 B:ALA16 4.7 13.3 1.0 N B:ASN15 4.7 9.0 1.0 OD2 C:ASP29 4.8 25.2 1.0 C C:HIS24 4.8 7.1 1.0 HA C:MET27 4.9 9.3 1.0

B.S.Rajagopal, N.Yates, J.Smith, A.Paradisi, C.Tetard-Jones, W.G.T.Willats, S.Marcus, P.J.Knox, M.Firdaus-Raih, B.Henrissat, G.J.Davies, P.H.Walton, A.Parkin, G.R.Hemsworth. Structural Dissection of Two Redox Proteins From the Shipworm Symbiont Teredinibacter Turnerae Iucrj 2024.
ISSN: ESSN 2052-2525
DOI: 10.1107/S2052252524001386