Chlorine in PDB 8oq9: Crystal Structure of the Titin Domain FN3-56

All present enzymatic activity of Crystal Structure of the Titin Domain FN3-56:
2.7.11.1;

The structure of Crystal Structure of the Titin Domain FN3-56, PDB code: 8oq9 was solved by M.Rees, M.Gautel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.69 / 1.65
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	70.53, 89.63, 97.11, 90, 90, 90
R / Rfree (%)	16.4 / 19.2

The structure of Crystal Structure of the Titin Domain FN3-56 also contains other interesting chemical elements:

Zinc

(Zn)

5 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Titin Domain FN3-56 (pdb code 8oq9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Titin Domain FN3-56, PDB code: 8oq9:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Titin Domain FN3-56


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 the Titin Domain FN3-56 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl204 b:38.2 occ:0.77 ZN B:ZN201 2.3 31.7 0.6 HG3 B:PRO59 3.0 36.2 1.0 HG2 B:PRO59 3.0 36.2 1.0 HE1 B:HIS41 3.0 36.2 1.0 CG B:PRO59 3.4 30.1 1.0 HE2 B:HIS41 3.6 48.5 1.0 CE1 B:HIS41 3.7 30.1 1.0 HD3 B:PRO59 3.9 32.3 1.0 OE1 B:GLU83 3.9 47.9 1.0 OE2 B:GLU83 3.9 40.4 1.0 NE2 B:HIS41 4.0 40.4 1.0 CD B:PRO59 4.1 26.9 1.0 O B:HOH411 4.2 38.0 1.0 CD B:GLU83 4.4 36.0 1.0 HD2 B:PRO59 4.4 32.3 1.0 CB B:PRO59 4.7 24.3 1.0 HD11 B:ILE88 4.8 39.2 1.0 HB3 B:PRO59 4.8 29.1 1.0 O B:HOH376 4.9 18.5 0.5 ND1 B:HIS41 5.0 35.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Titin Domain FN3-56


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 the Titin Domain FN3-56 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl205 b:49.4 occ:1.00 ZN B:ZN202 2.2 23.4 0.6 HA2 C:GLY34 3.2 27.2 1.0 OE1 B:GLU36 3.2 29.8 1.0 OD2 C:ASP32 3.3 28.1 1.0 O B:HOH328 3.5 41.3 1.0 OD1 C:ASP32 3.5 20.1 1.0 C C:GLY34 3.7 22.8 1.0 O C:HOH398 3.8 41.8 1.0 CG C:ASP32 3.8 21.7 1.0 O C:GLY34 3.8 22.6 1.0 CA C:GLY34 3.8 22.7 1.0 O B:HOH386 3.9 27.8 1.0 N C:SER35 4.0 21.2 1.0 HA C:SER35 4.1 28.3 0.7 H C:GLY34 4.2 24.2 1.0 H C:SER35 4.3 25.5 0.3 HA C:SER35 4.4 28.0 0.3 H C:SER35 4.4 25.5 0.7 CD B:GLU36 4.4 29.8 1.0 CA C:SER35 4.5 23.6 0.7 N C:GLY34 4.5 20.1 1.0 HA3 C:GLY34 4.6 27.2 1.0 CA C:SER35 4.6 23.4 0.3 HH22 C:ARG28 4.8 36.3 1.0 C C:SER35 4.8 20.9 1.0 O C:SER35 4.8 20.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Titin Domain FN3-56


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Titin Domain FN3-56 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:20.9 occ:1.00 ZN A:ZN201 2.2 12.6 0.8 HD3 C:ARG64 2.7 26.6 1.0 HB A:ILE88 2.8 16.7 1.0 O C:HOH403 3.3 33.5 1.0 OE1 A:GLU83 3.3 18.7 1.0 OD1 C:ASP62 3.4 14.3 1.0 OD2 C:ASP62 3.4 18.6 1.0 O C:HOH394 3.5 29.7 1.0 HD12 A:ILE88 3.5 22.8 1.0 HG2 C:ARG64 3.6 22.9 1.0 CD C:ARG64 3.6 22.2 1.0 OE2 A:GLU83 3.7 16.8 1.0 NE2 A:HIS41 3.7 15.3 1.0 CD A:GLU83 3.7 18.5 1.0 CG C:ASP62 3.8 15.8 1.0 CB A:ILE88 3.8 13.9 1.0 HD2 C:ARG64 3.9 26.6 1.0 O A:HOH395 3.9 27.8 1.0 CG C:ARG64 4.0 19.1 1.0 H A:ILE88 4.1 19.5 1.0 HG21 A:ILE88 4.2 25.2 1.0 HE1 A:HIS41 4.3 24.0 1.0 HG3 C:ARG64 4.3 22.9 1.0 CE1 A:HIS41 4.3 20.0 1.0 CD1 A:ILE88 4.3 19.0 1.0 HB3 A:GLU83 4.3 22.1 1.0 HB2 A:GLU83 4.3 22.1 1.0 N A:ILE88 4.4 16.3 1.0 CG1 A:ILE88 4.4 17.4 1.0 CG2 A:ILE88 4.5 21.0 1.0 HG13 A:ILE88 4.5 20.8 1.0 HA2 A:GLY87 4.5 23.6 1.0 O C:HOH400 4.6 45.0 1.0 CD2 A:HIS41 4.6 13.3 1.0 HG22 A:ILE88 4.6 25.2 1.0 CA A:ILE88 4.6 14.7 1.0 HD13 A:ILE88 4.6 22.8 1.0 NE C:ARG64 4.6 28.8 1.0 CB A:GLU83 4.7 18.4 1.0 HE C:ARG64 4.7 34.5 1.0 HD2 A:HIS41 4.8 16.0 1.0 HA A:ILE88 4.8 17.6 1.0 CG A:GLU83 4.9 19.7 1.0 H C:LEU63 5.0 16.7 1.0

M.Rees, R.Nikoopour, A.Alexandrovich, M.Pfuhl, L.R.Lopes, M.M.Akhtar, P.Syrris, P.Elliott, G.Carr-White, M.Gautel. Structure Determination and Analysis of Titin A-Band Fibronectin Type III Domains Provides Insights For Disease-Linked Variants and Protein Oligomerisation. J.Struct.Biol. 08009 2023.
ISSN: ESSN 1095-8657
PubMed: 37549721
DOI: 10.1016/J.JSB.2023.108009