Chlorine in PDB 2bc4: Crystal Structure of Hla-Dm

The structure of Crystal Structure of Hla-Dm, PDB code: 2bc4 was solved by M.J.Nicholson, B.Moradi, N.P.Seth, X.Xing, G.D.Cuny, R.L.Stein, K.W.Wucherpfennig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.27
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	98.068, 108.420, 110.207, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 26.8

The binding sites of Chlorine atom in the Crystal Structure of Hla-Dm (pdb code 2bc4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Hla-Dm, PDB code: 2bc4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Hla-Dm


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 Hla-Dm within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:68.7 occ:1.00 O A:HOH541 3.3 37.8 1.0 O B:HOH515 4.1 36.4 1.0 O B:HOH581 4.2 46.6 1.0 CG B:HIS82 4.2 39.6 1.0 CD2 A:HIS20 4.3 24.3 1.0 OD1 A:ASP68 4.3 37.7 1.0 ND1 B:HIS82 4.4 38.4 1.0 O B:HOH596 4.4 45.7 1.0 CD2 B:HIS82 4.4 39.3 1.0 CG A:HIS20 4.5 25.2 1.0 NE2 A:HIS20 4.6 26.6 1.0 CE2 A:PHE18 4.6 28.5 1.0 CE1 B:HIS82 4.6 39.9 1.0 CB B:HIS82 4.6 38.0 1.0 NE2 B:HIS82 4.6 41.0 1.0 ND1 A:HIS20 4.8 26.9 1.0 CE1 A:HIS20 4.9 25.4 1.0 CB A:HIS20 4.9 24.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Hla-Dm


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 Hla-Dm within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:57.2 occ:1.00 NE2 B:HIS145 3.0 65.3 1.0 CD2 B:HIS145 3.3 63.6 1.0 CE1 B:HIS145 4.1 64.4 1.0 CG B:HIS145 4.5 61.2 1.0 ND1 B:HIS145 4.8 62.9 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Hla-Dm


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 Hla-Dm within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl504 b:71.3 occ:1.00 O C:HOH542 2.9 43.7 1.0 O D:HOH516 3.9 45.2 1.0 OD1 C:ASP68 4.0 60.9 1.0 CD2 C:HIS20 4.2 29.8 1.0 NE2 C:HIS20 4.4 33.0 1.0 CG C:HIS20 4.4 31.1 1.0 CG D:HIS82 4.5 44.7 1.0 OD2 C:ASP68 4.5 63.4 1.0 CD2 D:HIS82 4.6 43.4 1.0 CG C:ASP68 4.7 60.9 1.0 CE1 C:HIS20 4.7 31.5 1.0 ND1 C:HIS20 4.7 32.7 1.0 ND1 D:HIS82 4.7 45.0 1.0 NE2 D:HIS82 4.8 45.4 1.0 CE2 C:PHE18 4.9 31.6 1.0 CE1 D:HIS82 4.9 44.0 1.0 CB C:HIS20 4.9 29.5 1.0 CB D:HIS82 4.9 42.7 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Hla-Dm


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 Hla-Dm within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl502 b:51.9 occ:1.00 CD2 D:HIS145 3.9 61.1 1.0 CG D:HIS145 4.5 59.1 1.0 NE2 D:HIS145 4.6 63.5 1.0 CB D:HIS145 4.9 53.8 1.0

M.J.Nicholson, B.Moradi, N.P.Seth, X.Xing, G.D.Cuny, R.L.Stein, K.W.Wucherpfennig. Small Molecules That Enhance the Catalytic Efficiency of Hla-Dm. J.Immunol. V. 176 4208 2006.
ISSN: ISSN 0022-1767
PubMed: 16547258