Chlorine in PDB 6ovn: Crystal Structure of the Unliganded Clone 2 Tcr

The structure of Crystal Structure of the Unliganded Clone 2 Tcr, PDB code: 6ovn was solved by A.Shahine, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.82 / 1.77
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	75.188, 75.188, 109.380, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 20.1

The structure of Crystal Structure of the Unliganded Clone 2 Tcr also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Unliganded Clone 2 Tcr (pdb code 6ovn). 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 Unliganded Clone 2 Tcr, PDB code: 6ovn:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Unliganded Clone 2 Tcr


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 Unliganded Clone 2 Tcr within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:66.0 occ:1.00 NH1 B:ARG37 3.5 79.2 1.0 N B:GLU63 3.7 37.3 1.0 O B:HOH456 3.9 52.6 1.0 CG B:GLU63 4.0 43.5 1.0 CE1 B:TYR56 4.1 41.7 1.0 CA B:GLU63 4.2 37.3 1.0 OH B:TYR56 4.2 43.0 1.0 CB B:SER84 4.3 63.5 1.0 CA B:TYR58 4.4 35.1 1.0 C B:TYR58 4.5 38.9 1.0 N B:TYR58 4.6 32.6 1.0 N B:SER84 4.6 67.6 1.0 CZ B:TYR56 4.7 39.0 1.0 CA B:SER84 4.7 61.0 1.0 CB B:GLU63 4.7 37.4 1.0 CZ B:ARG37 4.8 77.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Unliganded Clone 2 Tcr


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 Unliganded Clone 2 Tcr within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:81.2 occ:1.00 O B:HOH578 2.6 69.8 1.0 NH2 B:ARG37 4.2 73.9 1.0 CE1 B:TYR58 4.3 58.5 1.0 CD1 B:TYR58 4.9 49.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Unliganded Clone 2 Tcr


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 Unliganded Clone 2 Tcr within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:80.2 occ:1.00 O B:HOH438 2.3 51.2 1.0 N B:ASP241 3.7 46.2 1.0 CB B:GLN240 3.7 40.0 1.0 OE1 B:GLN240 3.8 68.2 1.0 N B:ARG242 3.9 40.9 1.0 CB B:ASP241 4.3 55.6 1.0 CG B:ARG242 4.4 45.3 1.0 CA B:GLN240 4.4 37.6 1.0 CG B:GLN240 4.4 47.0 1.0 CA B:ASP241 4.4 46.4 1.0 CD B:GLN240 4.5 61.2 1.0 C B:GLN240 4.5 43.7 1.0 CB B:ARG242 4.5 43.3 1.0 C B:ASP241 4.7 50.5 1.0 CA B:ARG242 4.9 41.9 1.0 OD1 B:ASN133 4.9 74.0 1.0 CG B:ASP241 5.0 69.8 1.0 CD B:ARG242 5.0 43.1 1.0 OD2 B:ASP241 5.0 75.2 1.0

P.Reinink, A.Shahine, S.Gras, T.Y.Cheng, R.Farquhar, K.Lopez, S.A.Suliman, J.F.Reijneveld, J.Le Nours, L.L.Tan, S.R.Leon, J.Jimenez, R.Calderon, L.Lecca, M.B.Murray, J.Rossjohn, D.B.Moody, I.Van Rhijn. A Tcr Beta-Chain Motif Biases Toward Recognition of Human CD1 Proteins J Immunol. 2019.
ISSN: ESSN 1550-6606
PubMed: 31694911
DOI: 10.4049/JIMMUNOL.1900872