Chlorine in PDB 3ffc: Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr

The structure of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr, PDB code: 3ffc was solved by S.Gras, S.R.Burrows, L.Kjer-Nielsen, C.S.Clements, Y.C.Liu, L.C.Sullivan, A.G.Brooks, A.W.Purcell, J.Mccluskey, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.80
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	111.564, 171.807, 272.690, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 26.8

The structure of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr also contains other interesting chemical elements:

Cadmium	(Cd)	10 atoms
Sodium	(Na)	10 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr (pdb code 3ffc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr, PDB code: 3ffc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


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 CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl279 b:27.6 occ:1.00 NH1 A:ARG17 3.0 38.5 1.0 NH1 F:ARG17 3.4 38.0 1.0 CD F:ARG14 4.3 27.9 1.0 CZ A:ARG17 4.3 38.3 1.0 CD A:ARG17 4.3 31.9 1.0 CD F:ARG17 4.3 32.5 1.0 CZ F:ARG17 4.5 37.9 1.0 NH1 A:ARG14 4.6 32.2 1.0 NE A:ARG17 4.8 35.8 1.0 CB A:ARG17 4.8 25.1 1.0 CD A:ARG14 4.8 27.5 1.0 CB F:ARG17 4.9 25.3 1.0 NE F:ARG17 4.9 35.8 1.0 NH1 F:ARG14 4.9 32.0 1.0 NE F:ARG14 5.0 30.8 1.0

Chlorine binding site 2 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


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 CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl280 b:37.2 occ:1.00 OD2 F:ASP39 3.3 41.5 1.0 OD1 F:ASP39 3.3 40.5 1.0 OD2 A:ASP39 3.4 40.5 1.0 OD1 A:ASP39 3.4 39.5 1.0 CG A:ASP39 3.7 38.8 1.0 CG F:ASP39 3.7 39.1 1.0 NH1 A:ARG14 4.2 32.2 1.0 CB A:ASP39 5.0 37.5 1.0

Chlorine binding site 3 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


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 CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl283 b:36.8 occ:1.00 CD G:CD100 2.4 35.4 1.0 OD1 G:ASP38 3.3 23.1 1.0 OE1 A:GLU19 3.4 21.4 1.0 NH2 A:ARG75 3.5 20.6 1.0 OE1 G:GLU36 3.5 25.8 1.0 CD G:ARG45 3.8 26.0 1.0 OD2 G:ASP38 3.8 23.1 1.0 CG G:ASP38 3.8 22.1 1.0 NE G:ARG45 4.1 27.0 1.0 NH2 G:ARG81 4.2 24.7 1.0 CZ A:ARG75 4.5 20.4 1.0 NE A:ARG75 4.6 20.2 1.0 CD A:GLU19 4.6 23.5 1.0 CD G:GLU36 4.6 23.9 1.0 CD A:PRO20 4.8 20.7 1.0 OE2 A:GLU19 4.9 25.3 1.0

Chlorine binding site 4 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:56.0 occ:1.00 NE2 B:HIS51 2.9 39.6 1.0 CE1 B:HIS51 3.8 39.7 1.0 CD2 B:HIS51 3.8 39.4 1.0 O B:VAL49 4.7 34.3 1.0 CD B:CD101 4.8 0.3 1.0 ND1 B:HIS51 4.8 38.9 1.0 CG B:HIS51 4.9 38.1 1.0

Chlorine binding site 5 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2 b:40.0 occ:1.00 CB D:ALA79 3.1 49.0 1.0 N D:ALA79 3.2 48.8 1.0 NH2 D:ARG80 3.5 51.6 1.0 CA D:ALA79 3.6 48.9 1.0 N D:ARG80 3.8 48.9 1.0 NE D:ARG80 3.8 51.6 1.0 N D:LYS78 4.0 48.3 1.0 C D:GLN77 4.0 48.3 1.0 CB D:GLN77 4.0 48.8 1.0 CZ D:ARG80 4.1 51.5 1.0 C D:ALA79 4.2 49.0 1.0 CA D:GLN77 4.2 48.5 1.0 C D:LYS78 4.4 48.6 1.0 O D:GLN77 4.4 48.2 1.0 CA D:LYS78 4.7 48.5 1.0 CB D:ARG80 4.8 48.9 1.0 CG D:GLN77 4.9 49.3 1.0 CA D:ARG80 4.9 48.8 1.0

Chlorine binding site 6 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl264 b:57.8 occ:1.00 OE2 G:GLU44 3.6 32.6 1.0 CD G:GLU44 4.0 32.9 1.0 O E:LYS83 4.1 20.7 1.0 CG G:GLU44 4.3 29.5 1.0 C E:LYS83 4.4 21.0 1.0 CA E:LYS83 4.5 21.2 1.0 CD E:LYS83 4.7 24.0 1.0 OE1 G:GLU44 4.7 34.9 1.0 CB E:LYS83 4.8 21.5 1.0 NH1 A:ARG79 5.0 23.4 0.5

Chlorine binding site 7 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl279 b:34.1 occ:1.00 N F:THR233 3.6 27.5 1.0 NZ F:LYS243 3.6 23.1 1.0 OG1 F:THR233 3.9 26.0 1.0 CA F:GLU232 3.9 29.7 1.0 CG F:GLU232 4.0 30.1 0.5 CB F:GLU232 4.2 29.9 1.0 C F:GLU232 4.2 28.6 1.0 CB F:THR233 4.3 25.9 1.0 CA F:THR233 4.6 26.3 1.0 CD F:GLU232 4.9 31.2 0.5

Chlorine binding site 8 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl102 b:33.2 occ:1.00 N G:LYS48 3.6 32.0 1.0 NH2 G:ARG45 3.8 27.0 1.0 NH1 G:ARG45 4.2 29.1 1.0 CA G:LYS48 4.3 33.0 1.0 CZ G:ARG45 4.5 27.9 1.0 CA G:GLU47 4.5 29.9 1.0 C G:GLU47 4.5 30.8 1.0 NH1 A:ARG75 4.8 21.9 1.0 OE1 A:GLN72 4.9 27.6 1.0 CB G:GLU47 5.0 29.9 1.0

Chlorine binding site 9 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl263 b:55.2 occ:1.00 CA J:HIS183 3.0 52.9 1.0 N J:HIS183 3.6 52.2 1.0 O J:HIS183 3.6 53.1 1.0 CD J:CD261 3.7 0.8 1.0 CB J:HIS183 3.7 53.0 1.0 C J:HIS183 3.8 53.2 1.0 C J:VAL182 4.3 51.5 1.0 O J:VAL182 4.4 51.3 1.0 OE2 J:GLU181 4.8 50.9 1.0 CD J:GLU181 4.9 51.4 1.0

Chlorine binding site 10 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl264 b:49.5 occ:1.00 NH2 J:ARG203 3.0 40.8 1.0 CZ J:ARG203 4.1 40.4 1.0 CE1 J:PHE137 4.3 22.9 1.0 NH1 J:ARG203 4.5 39.5 1.0 CD1 J:PHE137 4.7 22.8 1.0

S.Gras, S.R.Burrows, L.Kjer-Nielsen, C.S.Clements, Y.C.Liu, L.C.Sullivan, M.J.Bell, A.G.Brooks, A.W.Purcell, J.Mccluskey, J.Rossjohn. The Shaping of T Cell Receptor Recognition By Self-Tolerance. Immunity V. 30 193 2009.
ISSN: ISSN 1074-7613
PubMed: 19167249
DOI: 10.1016/J.IMMUNI.2008.11.011