Chlorine in PDB 7s8j: Phosphopeptide-Specific LC13 Tcr, Orthorhombic Crystal Form

The structure of Phosphopeptide-Specific LC13 Tcr, Orthorhombic Crystal Form, PDB code: 7s8j was solved by L.Patskovska, Y.Patskovsky, S.Nyovanie, A.Natarajan, B.Joshi, B.Morin, C.Brittsan, O.Huber, S.Gordon, X.Michelet, F.Schmitzberger, R.Stein, M.Findeis, A.Hurwitz, M.Van Dijk, J.Buell, D.Underwood, M.Krogsgaard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.21 / 1.92
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.549, 73.334, 110.031, 90, 90, 90
R / Rfree (%)	16.8 / 21.3

The binding sites of Chlorine atom in the Phosphopeptide-Specific LC13 Tcr, Orthorhombic Crystal Form (pdb code 7s8j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Phosphopeptide-Specific LC13 Tcr, Orthorhombic Crystal Form, PDB code: 7s8j:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Phosphopeptide-Specific LC13 Tcr, Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Phosphopeptide-Specific LC13 Tcr, Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:60.6 occ:1.00 OG1 A:THR19 3.1 24.2 1.0 O A:HOH603 3.4 54.1 1.0 N A:THR19 3.7 28.2 1.0 C A:LEU18 3.7 24.3 1.0 CE1 A:HIS74 3.8 32.4 1.0 CA A:LEU18 3.9 26.3 1.0 ND1 A:HIS74 3.9 32.9 1.0 N A:LEU18 4.0 28.0 1.0 CB A:THR19 4.1 28.6 1.0 O A:HOH502 4.2 40.1 1.0 C A:ASN17 4.2 31.1 1.0 O A:LEU18 4.3 26.2 1.0 O A:HOH568 4.4 40.1 1.0 O A:ASN17 4.4 33.5 1.0 CA A:THR19 4.5 31.6 1.0 CB A:ASN17 4.6 36.3 1.0 O A:HOH436 4.7 39.3 1.0

Chlorine binding site 2 out of 4 in the Phosphopeptide-Specific LC13 Tcr, Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Phosphopeptide-Specific LC13 Tcr, Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:31.8 occ:1.00 NZ B:LYS137 3.1 44.7 1.0 OG A:SER170 3.3 31.4 1.0 NH1 B:ARG192 3.4 27.7 1.0 CA A:PHE168 3.5 27.9 1.0 CB A:SER170 3.6 32.1 1.0 C A:PHE168 3.6 24.5 1.0 O A:HOH586 3.6 43.2 1.0 CE B:LYS137 3.7 42.5 1.0 CD B:ARG192 3.7 21.7 1.0 O A:PHE168 3.9 28.0 1.0 CD B:LYS137 3.9 33.1 1.0 N A:LYS169 3.9 23.3 1.0 CD1 A:PHE168 4.0 39.9 1.0 CB A:PHE168 4.1 30.7 1.0 O A:LYS169 4.2 25.8 1.0 C A:LYS169 4.2 24.9 1.0 CZ B:ARG192 4.3 24.6 1.0 N A:SER170 4.4 23.1 1.0 NE B:ARG192 4.4 25.8 1.0 CG A:PHE168 4.5 32.5 1.0 CA A:SER170 4.5 26.0 1.0 CA A:LYS169 4.8 23.8 1.0 N A:PHE168 4.8 28.0 1.0 CG B:ARG192 4.9 26.7 1.0 CE1 A:PHE168 5.0 34.2 1.0

Chlorine binding site 3 out of 4 in the Phosphopeptide-Specific LC13 Tcr, Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Phosphopeptide-Specific LC13 Tcr, Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:31.5 occ:1.00 O B:HOH439 3.0 29.0 1.0 N B:ALA179 3.2 27.2 1.0 C B:GLN177 3.4 23.8 1.0 CD B:PRO178 3.4 27.5 1.0 CA B:GLN177 3.4 27.9 1.0 N B:PRO178 3.4 26.1 1.0 CB B:ALA179 3.4 28.1 1.0 CA B:ALA179 3.9 31.9 1.0 O B:GLN177 3.9 28.8 1.0 NE2 B:GLN177 4.0 34.9 1.0 CE A:LYS149 4.1 31.3 1.0 CB B:GLN177 4.1 26.3 1.0 CG B:PRO178 4.1 32.7 1.0 C B:PRO178 4.2 28.6 1.0 NZ A:LYS149 4.2 34.3 1.0 CD A:LYS149 4.3 28.9 1.0 CD B:GLN177 4.3 41.1 1.0 CA B:PRO178 4.3 26.5 1.0 OE1 B:GLN177 4.7 37.4 1.0 N B:GLN177 4.7 27.0 1.0 O B:GLU176 4.7 27.8 1.0 N B:LEU180 4.7 28.1 1.0 C B:ALA179 4.7 30.9 1.0 CG B:GLN177 4.8 29.8 1.0 CB B:PRO178 4.9 25.1 1.0 CG B:LEU180 5.0 38.1 1.0

Chlorine binding site 4 out of 4 in the Phosphopeptide-Specific LC13 Tcr, Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Phosphopeptide-Specific LC13 Tcr, Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:46.3 occ:1.00 O B:HOH604 3.0 33.8 1.0 N B:HIS164 3.2 25.7 1.0 N B:SER165 3.3 27.8 1.0 OG B:SER165 3.8 26.9 1.0 CB B:SER165 3.8 28.4 1.0 CA B:VAL163 3.8 29.3 1.0 C B:VAL163 4.0 30.5 1.0 CA B:HIS164 4.0 26.3 1.0 CB B:VAL163 4.1 24.9 1.0 CA B:SER165 4.2 25.3 1.0 C B:HIS164 4.2 26.1 1.0 O A:HOH420 4.2 51.5 1.0 CB B:HIS164 4.3 27.0 1.0 O B:HOH457 4.5 39.4 1.0 CG1 B:VAL163 4.5 30.1 1.0 O B:HOH471 4.8 33.5 1.0 CD2 B:HIS164 4.8 29.3 1.0 CG B:HIS164 4.9 30.9 1.0 O B:SER165 4.9 24.5 1.0

L.Patskovska, Y.Patskovsky, S.Nyovanie, A.Nataragan, B.Joshi, B.Morin, C.Brittsan, O.Huber, S.Gordon, X.Michelet, F.Schmitzberger, R.Stein, M.Findeis, A.Hurwitz, M.Van Dijk, J.Buell, D.Underwood, M.Krogsgaard. Structure of Phosphopeptide-Specific LC13 Tcr To Be Published.