Chlorine in PDB 1h5b: T Cell Receptor VALPHA11 (AV11S5) Domain

The structure of T Cell Receptor VALPHA11 (AV11S5) Domain, PDB code: 1h5b was solved by M.Machius, P.Cianga, J.Deisenhofer, E.Sally Ward, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.83 / 1.85
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	83.531, 83.531, 132.463, 90.00, 90.00, 120.00
R / Rfree (%)	22.4 / 24.5

The binding sites of Chlorine atom in the T Cell Receptor VALPHA11 (AV11S5) Domain (pdb code 1h5b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the T Cell Receptor VALPHA11 (AV11S5) Domain, PDB code: 1h5b:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the T Cell Receptor VALPHA11 (AV11S5) Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T Cell Receptor VALPHA11 (AV11S5) Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1114 b:29.1 occ:1.00 OG A:SER42 3.0 19.8 1.0 NH1 A:ARG40 3.2 31.0 0.5 ND2 A:ASN38 3.4 23.2 1.0 CD A:ARG40 3.6 35.3 0.5 CB A:SER42 3.7 23.0 1.0 CD A:ARG40 4.0 45.5 0.5 CG2 B:ILE44 4.1 21.0 1.0 CZ A:ARG40 4.2 34.8 0.5 CD1 B:ILE44 4.4 18.3 1.0 CB A:ARG40 4.4 35.4 0.5 CG A:ASN38 4.4 20.1 1.0 NE A:ARG40 4.4 34.3 0.5 CG A:ARG40 4.4 36.9 0.5 CB A:ARG40 4.4 38.0 0.5 NE A:ARG40 4.5 49.5 0.5 OD1 A:ASN38 4.5 22.7 1.0 CG A:ARG40 4.6 43.1 0.5 CD1 A:ILE44 4.9 18.8 1.0

Chlorine binding site 2 out of 3 in the T Cell Receptor VALPHA11 (AV11S5) Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T Cell Receptor VALPHA11 (AV11S5) Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1112 b:27.9 occ:1.00 OG B:SER42 3.0 18.7 1.0 NH1 B:ARG40 3.2 42.3 1.0 ND2 B:ASN38 3.3 18.6 1.0 CB B:SER42 3.7 16.6 1.0 CD B:ARG40 4.0 40.1 1.0 CG2 A:ILE44 4.0 19.0 1.0 CD1 A:ILE44 4.2 18.8 1.0 CZ B:ARG40 4.3 44.0 1.0 CG B:ASN38 4.4 22.1 1.0 OD1 B:ASN38 4.5 18.5 1.0 NE B:ARG40 4.6 42.3 1.0 CB B:ARG40 4.6 32.3 1.0 CG B:ARG40 4.8 37.2 1.0 CD1 B:ILE44 4.8 18.3 1.0 CB A:ILE44 5.0 19.7 1.0

Chlorine binding site 3 out of 3 in the T Cell Receptor VALPHA11 (AV11S5) Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of T Cell Receptor VALPHA11 (AV11S5) Domain within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1112 b:28.4 occ:1.00 N D:ALA50 3.2 27.0 1.0 CA D:LEU49 3.8 30.1 0.6 CB D:ALA50 3.9 25.8 1.0 NZ D:LYS54 3.9 38.2 1.0 CA D:LEU49 3.9 29.9 0.4 C D:LEU49 4.0 29.6 0.6 C D:LEU49 4.0 29.2 0.4 CE D:LYS54 4.1 35.7 1.0 CA D:ALA50 4.1 26.5 1.0 O D:HOH2030 4.2 43.0 1.0 N D:SER51 4.3 27.4 1.0 CB D:LEU49 4.4 29.9 0.6 CE2 D:TYR48 4.5 24.0 1.0 O D:TYR48 4.6 22.7 1.0 O D:SER51 4.6 28.9 1.0 C D:ALA50 4.7 28.9 1.0 CB D:LEU49 4.8 31.3 0.4 CD2 D:TYR48 4.8 24.3 1.0 N D:LEU49 4.8 28.7 0.6 N D:LEU49 4.9 28.0 0.4

M.Machius, P.Cianga, J.Deisenhofer, E.S.Ward. Crystal Structure of A T Cell Receptor VALPHA11 (AV11S5) Domain: New Canonical Forms For the First and Second Complementarity Determining Regions J.Mol.Biol. V. 310 689 2001.
ISSN: ISSN 0022-2836
PubMed: 11453680
DOI: 10.1006/JMBI.2001.4794