Chlorine in PDB 3ucr: Crystal Structure of the Immunoreceptor Tigit Igv Domain

The structure of Crystal Structure of the Immunoreceptor Tigit Igv Domain, PDB code: 3ucr was solved by J.P.Yin, K.F.Stengel, L.Rouge, J.F.Bazan, C.Wiesmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.05 / 2.63
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	99.964, 99.964, 117.519, 90.00, 90.00, 120.00
R / Rfree (%)	21.5 / 27.4

The binding sites of Chlorine atom in the Crystal Structure of the Immunoreceptor Tigit Igv Domain (pdb code 3ucr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of the Immunoreceptor Tigit Igv Domain, PDB code: 3ucr:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Crystal Structure of the Immunoreceptor Tigit Igv Domain


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 Immunoreceptor Tigit Igv Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:37.9 occ:1.00 CA C:GLY83 3.3 28.8 1.0 N C:GLY83 3.4 29.2 1.0 NE2 C:GLN37 3.6 36.1 1.0 CA A:GLY83 3.7 21.3 1.0 N A:GLY83 3.8 24.6 1.0 C A:PRO82 3.9 27.5 1.0 O A:PRO82 4.0 24.7 1.0 C C:PRO82 4.2 29.9 1.0 CB A:PRO82 4.2 22.3 1.0 NE2 A:GLN37 4.5 26.0 1.0 CB C:PRO82 4.6 30.6 1.0 O C:PRO82 4.6 31.4 1.0 CA A:PRO82 4.7 23.2 1.0 C C:GLY83 4.7 29.7 1.0 CD C:GLN37 4.7 35.1 1.0 C A:GLY83 4.9 30.0 1.0 CA C:PRO82 4.9 36.4 1.0

Chlorine binding site 2 out of 8 in the Crystal Structure of the Immunoreceptor Tigit Igv Domain


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 Immunoreceptor Tigit Igv Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3 b:35.8 occ:1.00 OG1 A:THR48 3.3 30.5 1.0 ND2 B:ASN51 3.4 33.5 1.0 CB A:GLN49 3.4 23.6 1.0 CE1 B:HIS104 3.6 30.1 1.0 OE1 A:GLN49 3.7 24.2 1.0 O B:HOH9 3.7 26.0 1.0 ND1 A:HIS104 3.8 37.5 1.0 NE2 B:GLN49 3.8 27.2 1.0 NE2 B:HIS104 3.9 27.6 1.0 CD A:GLN49 3.9 25.2 1.0 ND2 A:ASN63 4.1 27.5 1.0 CB A:THR48 4.1 31.9 1.0 CG B:ASN51 4.2 30.8 1.0 CG A:GLN49 4.2 22.5 1.0 N A:GLN49 4.3 26.9 1.0 C A:THR48 4.3 28.3 1.0 OD1 B:ASN51 4.4 31.0 1.0 ND1 B:HIS104 4.4 30.0 1.0 CB A:HIS104 4.4 29.0 1.0 O A:THR48 4.4 25.5 1.0 CA A:GLN49 4.5 27.9 1.0 NE2 A:GLN49 4.5 27.0 1.0 CG A:HIS104 4.6 34.3 1.0 CE1 A:HIS104 4.8 40.6 1.0 CA A:THR48 4.9 30.9 1.0 CD2 B:HIS104 4.9 29.0 1.0 CD B:GLN49 5.0 26.8 1.0

Chlorine binding site 3 out of 8 in the Crystal Structure of the Immunoreceptor Tigit Igv Domain


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 Immunoreceptor Tigit Igv Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl7 b:56.6 occ:1.00 O A:LEU66 3.2 29.4 1.0 NE2 A:HIS69 3.7 31.2 1.0 CB A:LEU66 3.9 31.3 1.0 CE1 A:HIS69 3.9 36.1 1.0 C A:LEU66 4.0 29.1 1.0 CG B:PRO72 4.0 33.0 1.0 CA A:LEU66 4.0 31.3 1.0 CD B:PRO72 4.1 31.9 1.0 O B:ILE70 4.3 31.3 1.0 CD2 A:LEU66 4.6 33.8 1.0 CG A:LEU66 4.8 34.7 1.0

Chlorine binding site 4 out of 8 in the Crystal Structure of the Immunoreceptor Tigit Igv Domain


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 the Immunoreceptor Tigit Igv Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl8 b:35.3 occ:1.00 OG1 B:THR48 3.1 28.7 1.0 ND2 A:ASN51 3.5 27.9 1.0 CE1 A:HIS104 3.6 40.6 1.0 CB B:GLN49 3.7 23.0 1.0 CB B:THR48 3.7 26.9 1.0 OE1 B:GLN49 4.2 24.7 1.0 C B:THR48 4.2 26.5 1.0 O B:THR48 4.2 26.5 1.0 ND2 B:ASN63 4.3 24.9 1.0 NE2 A:GLN49 4.3 27.0 1.0 CB B:HIS104 4.3 24.8 1.0 N B:GLN49 4.4 23.4 1.0 NE2 A:HIS104 4.5 34.8 1.0 CD B:GLN49 4.5 26.8 1.0 CG A:ASN51 4.6 26.6 1.0 ND1 A:HIS104 4.6 37.5 1.0 CA B:THR48 4.7 24.8 1.0 CA B:GLN49 4.7 23.4 1.0 CG B:GLN49 4.7 22.1 1.0 CG B:HIS104 4.8 31.6 1.0 CG2 B:THR48 4.9 21.4 1.0 OD1 A:ASN51 4.9 29.8 1.0

Chlorine binding site 5 out of 8 in the Crystal Structure of the Immunoreceptor Tigit Igv Domain


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 the Immunoreceptor Tigit Igv Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:48.6 occ:1.00 CA B:GLY83 3.6 29.9 1.0 CA D:GLY83 3.6 51.4 1.0 N B:GLY83 3.6 27.9 1.0 N D:GLY83 3.7 51.0 1.0 C B:PRO82 3.9 32.7 1.0 NE2 D:GLN37 3.9 45.4 1.0 C D:PRO82 3.9 50.8 1.0 O D:PRO82 4.0 43.5 1.0 OE1 B:GLN37 4.0 42.6 1.0 O B:PRO82 4.0 32.7 1.0 CB B:PRO82 4.2 31.4 1.0 CB D:PRO82 4.3 36.3 1.0 CA B:PRO82 4.7 30.5 1.0 CA D:PRO82 4.7 45.5 1.0 C B:GLY83 4.8 33.1 1.0 C D:GLY83 4.9 53.5 1.0 CD D:GLN37 4.9 44.9 1.0 CG B:PRO82 4.9 32.0 1.0 N B:LEU84 5.0 35.7 1.0

Chlorine binding site 6 out of 8 in the Crystal Structure of the Immunoreceptor Tigit Igv Domain


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 the Immunoreceptor Tigit Igv Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl4 b:41.0 occ:1.00 CD2 B:HIS104 3.7 29.0 1.0 CA B:GLY109 3.7 27.1 1.0 O B:THR105 3.9 26.1 1.0 CB B:HIS104 3.9 24.8 1.0 C B:GLY109 3.9 32.2 1.0 N B:THR105 4.0 25.6 1.0 CA B:HIS104 4.1 27.2 1.0 CG B:HIS104 4.1 31.6 1.0 OG1 B:THR110 4.1 31.6 1.0 N B:THR110 4.2 32.1 1.0 OG1 A:THR110 4.4 33.5 1.0 NE2 A:HIS104 4.4 34.8 1.0 O B:GLY109 4.4 29.0 1.0 C B:HIS104 4.4 25.9 1.0 N B:GLY109 4.8 26.3 1.0 CE1 A:HIS104 4.8 40.6 1.0 C B:THR105 4.8 26.8 1.0 CA B:THR110 4.8 26.3 1.0 NE2 B:HIS104 4.9 27.6 1.0 CD2 A:HIS104 4.9 32.2 1.0

Chlorine binding site 7 out of 8 in the Crystal Structure of the Immunoreceptor Tigit Igv Domain


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 the Immunoreceptor Tigit Igv Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl5 b:39.8 occ:1.00 CE1 B:TYR106 3.2 26.0 1.0 CD1 B:TYR106 3.4 22.1 1.0 CZ B:TYR106 4.4 30.4 1.0 CG B:TYR106 4.7 27.6 1.0 O B:PRO107 4.7 28.5 1.0 CA B:PRO107 4.8 27.9 1.0 OH B:TYR106 4.9 32.9 1.0

Chlorine binding site 8 out of 8 in the Crystal Structure of the Immunoreceptor Tigit Igv Domain


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 the Immunoreceptor Tigit Igv Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl6 b:45.8 occ:1.00 O B:LEU66 3.1 27.4 1.0 NE2 B:HIS69 3.7 30.9 1.0 C B:LEU66 3.9 26.9 1.0 CE1 B:HIS69 3.9 30.0 1.0 CA B:LEU66 4.0 24.9 1.0 CG A:PRO72 4.1 42.6 1.0 CD A:PRO72 4.1 42.9 1.0 CD2 B:LEU66 4.2 29.1 1.0 CB B:LEU66 4.2 23.0 1.0 O A:ILE70 4.6 40.4 1.0 CG B:LEU66 4.8 29.2 1.0

K.F.Stengel, K.Harden-Bowles, X.Yu, L.Rouge, J.Yin, L.Comps-Agrar, C.Wiesmann, J.F.Bazan, D.L.Eaton, J.L.Grogan. Structure of Tigit Immunoreceptor Bound to Poliovirus Receptor Reveals A Cell-Cell Adhesion and Signaling Mechanism That Requires Cis-Trans Receptor Clustering. Proc.Natl.Acad.Sci.Usa V. 109 5399 2012.
ISSN: ISSN 0027-8424
PubMed: 22421438
DOI: 10.1073/PNAS.1120606109