Chlorine in PDB 4l3c: Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant

The structure of Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant, PDB code: 4l3c was solved by L.Halabelian, S.Giorgetti, V.Bellotti, M.Bolognesi, S.Ricagno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.48 / 2.64
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	102.110, 314.500, 316.230, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 21.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 38;

Binding sites:

The binding sites of Chlorine atom in the Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant (pdb code 4l3c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 38 binding sites of Chlorine where determined in the Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant, PDB code: 4l3c:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 38 in the Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:60.8 occ:1.00 NE2 B:HIS51 3.8 45.1 1.0 NH2 A:ARG21 4.0 39.6 1.0 CE1 B:HIS51 4.3 45.7 1.0 NH1 A:ARG21 4.4 38.8 1.0 CZ A:ARG21 4.6 38.6 1.0 CD2 B:HIS51 5.0 45.4 1.0

Chlorine binding site 2 out of 38 in the Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:30.0 occ:1.00 O A:ASP29 3.9 31.2 1.0 CD2 A:TYR27 4.0 36.2 1.0 CG A:TYR27 4.1 33.6 1.0 CZ A:PHE8 4.2 30.4 1.0 CE2 A:TYR27 4.2 37.4 1.0 OD1 A:ASP30 4.3 34.9 1.0 CE2 A:PHE8 4.4 30.2 1.0 CD1 A:TYR27 4.5 36.1 1.0 CB A:TYR27 4.6 31.6 1.0 CZ A:TYR27 4.6 38.9 1.0 OH B:TYR63 4.7 36.9 1.0 CE1 A:TYR27 4.8 37.5 1.0 CA A:ASP30 5.0 31.2 1.0

Chlorine binding site 3 out of 38 in the Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl101 b:62.0 occ:1.00 N B:THR71 3.6 40.0 1.0 CA B:PHE70 3.8 39.7 1.0 CB B:PHE70 4.1 38.9 1.0 C B:PHE70 4.2 39.7 1.0 NZ B:LYS41 4.6 46.2 1.0 CA B:THR71 4.6 40.3 1.0 CB B:THR71 4.6 40.8 1.0 O B:THR71 4.6 40.4 1.0 O B:GLU69 4.7 41.9 1.0 OG1 B:THR71 4.7 41.1 1.0 C B:THR71 5.0 40.2 1.0

Chlorine binding site 4 out of 38 in the Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:48.8 occ:1.00 NH2 C:ARG21 4.0 41.1 1.0 NH1 C:ARG21 4.1 40.8 1.0 NE2 D:HIS51 4.2 45.5 1.0 CE1 D:HIS51 4.4 45.6 1.0 CZ C:ARG21 4.5 40.8 1.0

Chlorine binding site 5 out of 38 in the Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:30.0 occ:1.00 O C:ASP29 4.0 30.6 1.0 OD1 C:ASP30 4.0 33.0 1.0 CD2 C:TYR27 4.2 35.0 1.0 CG C:TYR27 4.2 33.3 1.0 CZ C:PHE8 4.4 31.1 1.0 CD1 C:TYR27 4.5 35.1 1.0 CE2 C:TYR27 4.5 35.9 1.0 CE2 C:PHE8 4.6 30.6 1.0 CB C:TYR27 4.6 30.7 1.0 OH D:TYR63 4.7 35.0 1.0 CE1 C:TYR27 4.7 36.6 1.0 CZ C:TYR27 4.7 38.1 1.0 CA C:ASP30 4.8 31.0 1.0 C C:ASP29 5.0 30.8 1.0 NH1 C:ARG6 5.0 52.0 1.0

Chlorine binding site 6 out of 38 in the Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl101 b:59.1 occ:1.00 N D:THR71 3.7 40.0 1.0 CA D:PHE70 4.0 39.6 1.0 CB D:PHE70 4.0 39.4 1.0 O D:THR71 4.2 40.9 1.0 NZ D:LYS41 4.3 46.1 1.0 C D:PHE70 4.4 39.9 1.0 OH D:TYR78 4.5 43.3 1.0 CA D:THR71 4.7 40.2 1.0 CB D:THR71 4.8 40.4 1.0 C D:THR71 4.8 40.4 1.0 CE D:LYS41 5.0 44.5 1.0 OG1 D:THR71 5.0 41.9 1.0 O D:GLU69 5.0 41.5 1.0

Chlorine binding site 7 out of 38 in the Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl301 b:60.5 occ:1.00 NE2 F:HIS51 3.7 44.2 1.0 CE1 F:HIS51 3.9 44.4 1.0 NH2 E:ARG21 4.0 37.4 1.0 NH1 E:ARG21 4.5 38.0 1.0 CZ E:ARG21 4.7 37.3 1.0 CD2 F:HIS51 4.8 42.8 1.0

Chlorine binding site 8 out of 38 in the Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl101 b:65.9 occ:1.00 N F:THR71 3.7 40.5 1.0 NZ F:LYS41 3.9 45.0 1.0 CA F:PHE70 4.1 39.8 1.0 CB F:PHE70 4.2 39.0 1.0 C F:PHE70 4.4 40.2 1.0 OH F:TYR78 4.4 43.4 1.0 O F:THR71 4.5 40.8 1.0 CB F:THR71 4.7 40.7 1.0 CA F:THR71 4.7 40.6 1.0 C F:THR71 5.0 40.6 1.0 O F:GLU69 5.0 41.1 1.0

Chlorine binding site 9 out of 38 in the Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl301 b:59.6 occ:1.00 NE2 H:HIS51 3.9 46.8 1.0 NH1 G:ARG21 4.2 36.5 1.0 CE1 H:HIS51 4.3 47.0 1.0 NH2 G:ARG21 4.5 37.1 1.0 CZ G:ARG21 4.8 36.7 1.0 CD2 H:HIS51 5.0 45.8 1.0

Chlorine binding site 10 out of 38 in the Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of Hla-A2 in Complex with D76N B2M Mutant and Ny-ESO1 Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl101 b:64.2 occ:1.00 N H:THR71 3.7 41.5 1.0 CA H:PHE70 4.0 40.6 1.0 CB H:PHE70 4.2 40.1 1.0 C H:PHE70 4.4 41.0 1.0 NZ H:LYS41 4.6 46.7 1.0 O H:THR71 4.6 42.0 1.0 CB H:THR71 4.7 41.6 1.0 CA H:THR71 4.7 41.6 1.0 OG1 H:THR71 4.9 41.5 1.0 OH H:TYR78 4.9 44.8 1.0

L.Halabelian, S.Ricagno, S.Giorgetti, C.Santambrogio, A.Barbiroli, S.Pellegrino, A.Achour, R.Grandori, L.Marchese, S.Raimondi, P.P.Mangione, G.Esposito, R.Al-Shawi, J.P.Simons, I.Speck, M.Stoppini, M.Bolognesi, V.Bellotti. Class I Major Histocompatibility Complex, the Trojan Horse For Secretion of Amyloidogenic Beta 2-Microglobulin. J.Biol.Chem. V. 289 3318 2014.
ISSN: ISSN 0021-9258
PubMed: 24338476
DOI: 10.1074/JBC.M113.524157