Chlorine in PDB 3cck: Human CD69

The structure of Human CD69, PDB code: 3cck was solved by J.Brynda, O.Vanek, P.Rezacova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.05 / 1.80
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	85.693, 85.693, 61.881, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 22.3

The binding sites of Chlorine atom in the Human CD69 (pdb code 3cck). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Human CD69, PDB code: 3cck:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Human CD69


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human CD69 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:18.1 occ:1.00 O A:HOH242 3.0 43.4 1.0 N A:LYS103 3.1 13.4 1.0 CA A:VAL102 3.7 15.5 1.0 CG A:LYS103 3.8 13.9 1.0 CB A:LYS103 3.8 12.0 1.0 C A:VAL102 3.9 15.2 1.0 CA A:LYS103 4.1 13.5 1.0 CB A:VAL102 4.1 16.7 1.0 CD A:LYS103 4.4 15.2 1.0 CG1 A:VAL102 4.5 16.0 1.0 CE1 A:TYR191 4.5 20.8 1.0 OH A:TYR191 4.6 19.7 1.0 O A:THR101 4.7 16.6 1.0 O A:LYS103 4.7 13.1 1.0 CZ A:TYR191 4.8 18.8 1.0 N A:VAL102 4.9 16.0 1.0 NH2 A:ARG104 4.9 15.7 1.0 C A:LYS103 4.9 13.1 1.0

Chlorine binding site 2 out of 3 in the Human CD69


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human CD69 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:31.2 occ:1.00 N A:THR101 3.3 17.4 1.0 OG1 A:THR101 3.5 18.6 1.0 CA A:SER100 3.7 15.5 1.0 CB A:SER100 3.8 16.0 1.0 CE2 A:PHE98 4.0 21.4 1.0 CZ A:PHE98 4.0 21.5 1.0 C A:SER100 4.0 16.5 1.0 CG2 A:VAL102 4.1 18.0 1.0 CA A:THR101 4.3 17.6 1.0 CZ2 A:TRP192 4.3 15.0 1.0 N A:VAL102 4.3 16.0 1.0 CB A:THR101 4.3 18.2 1.0 CH2 A:TRP192 4.4 17.1 1.0 CG2 A:THR101 4.6 20.6 1.0 C A:THR101 4.7 16.6 1.0 OG A:SER100 5.0 14.9 1.0

Chlorine binding site 3 out of 3 in the Human CD69


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human CD69 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3 b:35.5 occ:1.00 N B:THR101 3.2 18.2 1.0 OG1 B:THR101 3.3 21.8 1.0 CA B:SER100 3.8 16.2 1.0 CZ B:PHE98 3.8 21.6 1.0 CB B:SER100 3.8 17.0 1.0 CE2 B:PHE98 4.0 23.2 1.0 C B:SER100 4.0 17.2 1.0 CG2 B:VAL102 4.0 18.5 1.0 N B:VAL102 4.1 16.8 1.0 CA B:THR101 4.1 18.9 1.0 CB B:THR101 4.2 20.5 1.0 CH2 B:TRP192 4.4 19.6 1.0 CZ2 B:TRP192 4.4 17.0 1.0 C B:THR101 4.5 18.2 1.0 CG2 B:THR101 4.6 21.1 1.0 CG1 B:VAL102 4.8 17.4 1.0 CB B:VAL102 4.8 16.6 1.0 OG B:SER100 4.9 17.9 1.0

O.Vanek, M.Nalezkova, D.Kavan, I.Borovickova, P.Pompach, P.Novak, V.Kumar, L.Vannucci, J.Hudecek, K.Hofbauerova, V.Kopecky, J.Brynda, P.Kolenko, J.Dohnalek, P.Kaderavek, J.Chmelik, L.Gorcik, L.Zidek, V.Sklenar, K.Bezouska. Soluble Recombinant CD69 Receptors Optimized to Have An Exceptional Physical and Chemical Stability Display Prolonged Circulation and Remain Intact in the Blood of Mice Febs J. V. 275 5589 2008.
ISSN: ISSN 1742-464X
PubMed: 18959746
DOI: 10.1111/J.1742-4658.2008.06683.X