Chlorine in PDB 8q1v: TTX183A - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913

The structure of TTX183A - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913, PDB code: 8q1v 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)	65.53 / 1.40
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	92.669, 92.669, 92.669, 90, 90, 90
R / Rfree (%)	16.5 / 19.3

The structure of TTX183A - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913 also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the TTX183A - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913 (pdb code 8q1v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the TTX183A - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913, PDB code: 8q1v:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the TTX183A - 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 TTX183A - 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:34.8 occ:1.00 H A:GLU11 2.6 17.9 1.0 O A:HOH241 2.6 51.4 1.0 H A:GLY10 2.8 20.8 1.0 HB3 A:HIS8 2.9 33.4 1.0 HB2 A:TYR74 3.1 13.7 1.0 HA3 A:GLY10 3.2 18.7 1.0 HD1 A:TYR74 3.3 16.0 1.0 N A:GLU11 3.3 17.9 1.0 N A:GLY10 3.4 20.8 1.0 HA A:HIS8 3.5 31.8 1.0 CA A:GLY10 3.6 18.6 1.0 HB2 A:GLU11 3.7 20.8 1.0 CB A:HIS8 3.7 33.2 1.0 C A:HIS8 3.8 28.0 1.0 HD1 A:HIS8 3.8 35.1 0.0 CA A:HIS8 3.8 31.6 1.0 C A:GLY10 3.9 17.8 1.0 O A:HOH233 3.9 43.3 1.0 HD2 A:PRO9 3.9 29.2 1.0 CB A:TYR74 4.0 13.7 1.0 HA A:TYR74 4.0 13.0 1.0 CD1 A:TYR74 4.0 16.2 1.0 O A:HIS8 4.0 27.6 1.0 N A:PRO9 4.1 27.1 1.0 HB3 A:GLU11 4.3 20.8 1.0 CB A:GLU11 4.3 20.8 1.0 ND1 A:HIS8 4.3 36.8 1.0 CA A:GLU11 4.4 18.8 1.0 CG A:TYR74 4.4 14.7 1.0 HB2 A:HIS8 4.4 33.3 1.0 C A:PRO9 4.5 23.8 1.0 CA A:TYR74 4.5 13.1 1.0 CG A:HIS8 4.5 35.7 1.0 CD A:PRO9 4.5 29.4 1.0 HA2 A:GLY10 4.6 18.8 1.0 O A:HOH248 4.6 50.0 1.0 HB3 A:TYR74 4.7 13.7 1.0 HA A:GLU11 4.7 19.1 1.0 O A:GLN70 4.9 12.8 1.0 CA A:PRO9 4.9 26.8 1.0 H A:TYR74 5.0 12.3 1.0 HD22 A:ASN78 5.0 18.9 1.0 N A:TYR74 5.0 12.2 1.0

Chlorine binding site 2 out of 3 in the TTX183A - 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 TTX183A - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl103 b:30.7 occ:1.00 H A:ASP25 2.3 24.9 1.0 H A:LYS27 2.4 19.3 1.0 HB2 A:ASP25 2.7 28.7 1.0 HB2 A:LYS27 2.9 22.7 1.0 HA3 A:GLY23 3.0 20.2 1.0 N A:ASP25 3.1 25.1 1.0 N A:LYS27 3.3 18.8 1.0 H A:GLY26 3.4 20.6 1.0 H A:GLY28 3.5 18.8 1.0 CB A:ASP25 3.5 28.3 1.0 CA A:ASP25 3.6 25.6 1.0 N A:GLY26 3.6 20.1 1.0 H A:LYS24 3.6 22.7 1.0 C A:ASP25 3.7 22.6 1.0 CB A:LYS27 3.7 22.5 1.0 N A:GLY28 3.8 18.4 1.0 N A:LYS24 3.8 23.0 1.0 CA A:LYS27 3.8 21.0 1.0 CA A:GLY23 3.8 20.4 1.0 HE3 A:LYS27 3.8 36.9 1.0 C A:GLY23 3.9 21.8 1.0 C A:LYS27 3.9 20.6 1.0 HB3 A:ASP25 4.2 28.6 1.0 O A:HIS22 4.3 19.2 1.0 C A:LYS24 4.3 24.5 1.0 HA2 A:GLY23 4.3 20.3 1.0 O A:HOH243 4.3 35.2 1.0 C A:GLY26 4.3 19.5 1.0 HB3 A:LYS27 4.4 22.6 1.0 CG A:ASP25 4.4 34.6 1.0 O A:ASP25 4.4 24.6 1.0 HG3 A:LYS27 4.4 25.9 1.0 OD2 A:ASP25 4.4 41.7 1.0 HA2 A:GLY28 4.5 18.8 1.0 CA A:GLY26 4.5 20.1 1.0 O A:GLY23 4.5 21.5 1.0 HA A:ASP25 4.5 25.2 1.0 CA A:LYS24 4.6 23.5 1.0 CG A:LYS27 4.6 25.9 1.0 CA A:GLY28 4.6 18.9 1.0 CE A:LYS27 4.7 37.5 1.0 O A:LYS27 4.7 23.2 1.0 HA3 A:GLY28 4.7 18.8 1.0 HA A:LYS27 4.8 20.7 1.0 HE2 A:LYS27 4.8 36.9 1.0 N A:GLY23 4.9 18.7 1.0 C A:HIS22 5.0 17.9 1.0

Chlorine binding site 3 out of 3 in the TTX183A - 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 3 of TTX183A - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl104 b:20.2 occ:1.00 H A:LEU30 2.4 19.9 1.0 HG A:LEU30 2.9 25.6 1.0 HA2 A:GLY29 3.0 18.9 1.0 O A:HOH207 3.1 23.3 1.0 N A:LEU30 3.3 20.1 1.0 HA3 A:GLY29 3.5 18.8 1.0 CA A:GLY29 3.6 18.9 1.0 CG A:LEU30 3.7 26.0 1.0 HD13 A:LEU30 3.8 27.7 1.0 HB2 A:LEU30 3.9 22.5 1.0 C A:GLY29 3.9 19.4 1.0 CD1 A:LEU30 4.1 28.2 1.0 HD11 A:LEU30 4.1 27.7 1.0 CB A:LEU30 4.1 22.4 1.0 CA A:LEU30 4.3 20.6 1.0 O A:HOH217 4.4 18.0 1.0 HA A:LEU30 4.7 20.5 1.0 OE2 A:GLU34 4.9 19.8 1.0 CD2 A:LEU30 4.9 27.1 1.0 N A:GLY29 4.9 18.2 1.0 HD21 A:LEU30 5.0 26.8 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