Chlorine in PDB 6h6d: Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10

The structure of Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10, PDB code: 6h6d was solved by A.Achour, T.Sandalova, X.Han, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.98 / 2.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.140, 69.240, 87.160, 84.20, 86.69, 81.75
R / Rfree (%)	19.8 / 23.3

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10 (pdb code 6h6d). 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 Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10, PDB code: 6h6d:
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 Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:72.6 occ:1.00 O A:GLN65 3.8 25.1 1.0 CA A:GLY69 4.1 32.2 1.0 CG A:GLN65 4.3 30.4 1.0 O A:HOH519 4.3 26.1 1.0 NE2 A:GLN65 4.3 32.6 1.0 N A:GLY69 4.4 31.2 1.0 C A:GLN65 4.4 25.6 1.0 CA A:LYS66 4.7 25.2 1.0 N A:LYS66 4.8 25.4 1.0 CD A:GLN65 4.8 32.2 1.0 OG C:SER4 5.0 30.5 1.0

Chlorine binding site 2 out of 11 in the Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:64.3 occ:1.00 CE2 A:TRP167 3.6 49.2 1.0 CZ2 A:TRP167 3.8 51.9 1.0 NE1 A:TRP167 3.8 46.7 1.0 CD2 A:TRP167 3.9 42.4 1.0 O A:HOH524 4.1 44.5 1.0 CD A:ARG170 4.2 61.1 1.0 CD1 A:TRP167 4.3 42.9 1.0 CH2 A:TRP167 4.3 51.1 1.0 CG A:TRP167 4.4 43.2 1.0 CE3 A:TRP167 4.4 44.3 1.0 CZ3 A:TRP167 4.5 46.0 1.0 CB A:ARG170 4.6 47.3 1.0 O A:GLU166 4.6 40.4 1.0 C A:GLU166 4.7 39.7 1.0 CB A:GLU166 4.8 46.3 1.0 CG A:ARG170 4.8 55.1 1.0 CA A:TRP167 4.9 40.5 1.0 N A:TRP167 4.9 38.3 1.0 NH1 A:ARG170 4.9 78.0 1.0

Chlorine binding site 3 out of 11 in the Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:64.3 occ:1.00 NH2 A:ARG62 3.0 68.6 1.0 NH1 A:ARG62 3.0 55.5 1.0 CZ A:ARG62 3.5 55.5 1.0 CG A:GLU58 3.7 51.8 1.0 N A:TYR59 4.2 38.1 1.0 CA A:TYR59 4.2 33.9 1.0 CB A:TYR59 4.2 31.7 1.0 CH2 A:TRP167 4.3 51.1 1.0 OE2 A:GLU58 4.5 71.4 1.0 CD A:GLU58 4.5 60.7 1.0 C A:GLU58 4.7 44.7 1.0 NE A:ARG62 4.8 48.3 1.0 CD2 A:TYR59 4.8 27.6 1.0 CB A:GLU58 4.8 43.7 1.0 CZ2 A:TRP167 4.9 51.9 1.0

Chlorine binding site 4 out of 11 in the Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:57.1 occ:1.00 N A:GLY90 3.0 70.3 1.0 CA A:GLY90 3.5 76.5 1.0 CB A:ALA89 4.0 71.3 1.0 C A:ALA89 4.1 70.5 1.0 N A:GLY16 4.2 84.8 1.0 CA A:ALA89 4.4 67.9 1.0 CA A:PRO15 4.6 88.2 1.0 N A:LEU17 4.8 0.6 1.0 C A:GLY90 4.8 77.2 1.0 C A:PRO15 4.9 84.8 1.0

Chlorine binding site 5 out of 11 in the Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl104 b:60.7 occ:1.00 NH1 B:ARG12 3.7 38.2 1.0 NH2 B:ARG12 3.9 39.0 1.0 CZ B:ARG12 4.3 39.9 1.0 NE2 B:HIS67 5.0 49.7 1.0

Chlorine binding site 6 out of 11 in the Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl105 b:62.7 occ:1.00 CG B:PRO90 3.9 57.2 1.0 CD B:ARG81 4.1 66.0 1.0 NH1 B:ARG81 4.4 83.8 1.0 NE B:ARG81 4.5 75.5 1.0 CZ B:ARG81 4.7 79.7 1.0 CD B:PRO90 5.0 55.4 1.0

Chlorine binding site 7 out of 11 in the Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl106 b:58.7 occ:1.00 NZ B:LYS41 3.2 60.9 1.0 OH B:TYR78 3.4 44.1 1.0 N B:THR71 3.5 44.3 1.0 CE B:LYS41 4.0 57.3 1.0 CA B:PHE70 4.0 39.5 1.0 O B:THR71 4.1 53.8 1.0 CB B:PHE70 4.2 41.0 1.0 C B:PHE70 4.3 41.2 1.0 CD B:LYS41 4.3 47.0 1.0 CA B:THR71 4.4 49.1 1.0 CZ B:TYR78 4.5 37.4 1.0 CB B:THR71 4.5 51.6 1.0 C B:THR71 4.6 47.2 1.0 CE2 B:TYR78 4.7 36.8 1.0 OG1 B:THR71 4.9 54.5 1.0 O B:GLU69 5.0 41.9 1.0

Chlorine binding site 8 out of 11 in the Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl402 b:61.0 occ:1.00 NH2 D:ARG62 3.2 52.9 1.0 NH1 D:ARG62 3.4 49.4 1.0 CZ D:ARG62 3.7 48.8 1.0 CH2 D:TRP167 3.9 38.8 1.0 CG D:GLU58 4.3 55.9 1.0 CZ2 D:TRP167 4.5 38.7 1.0 CB D:TYR59 4.8 32.9 1.0 CA D:TYR59 4.9 35.3 1.0 OE1 D:GLU55 4.9 55.2 1.0 N D:TYR59 4.9 37.6 1.0 OE2 D:GLU58 4.9 85.0 1.0 NH1 D:ARG170 5.0 0.2 1.0

Chlorine binding site 9 out of 11 in the Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl403 b:70.6 occ:1.00 N D:GLY90 3.2 90.6 1.0 CA D:GLY90 3.6 90.8 1.0 N D:GLY16 4.0 91.3 1.0 CB D:ALA89 4.2 87.0 1.0 C D:ALA89 4.3 87.7 1.0 N D:LEU17 4.4 0.7 1.0 CA D:PRO15 4.4 0.7 1.0 CA D:ALA89 4.6 87.6 1.0 C D:PRO15 4.7 92.8 1.0 O D:ARG14 4.8 88.1 1.0 C D:GLY90 4.9 94.0 1.0 CA D:GLY16 4.9 99.5 1.0

Chlorine binding site 10 out of 11 in the Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structures of the Murine Class I Major Histocompatibility Complex H-2DB in Complex with Adenovirus-Derived Peptide AD10 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl104 b:63.9 occ:1.00 CD E:ARG81 4.2 68.2 1.0 CG E:PRO90 4.5 69.3 1.0 NH1 E:ARG81 4.5 89.1 1.0 NE E:ARG81 4.5 77.4 1.0 CZ E:ARG81 4.7 86.1 1.0

X.Han, E.T.Abualrous, D.Badia-Martines, T.Sandalova, R.Sun, T.Van Hall, F.Ossendorp, A.Achour. Crystal Structures of H-2DB and H-2DBM13 with Cancer-Associated Ad 10 Peptide Reveal That Subtle Changes in the Peptide Environment Impact Thermostability and Alloreactivity To Be Published.