Chlorine in PDB 7mlh: Crystal Structure of Human Ige (2F10) in Complex with Der P 2.0103

The structure of Crystal Structure of Human Ige (2F10) in Complex with Der P 2.0103, PDB code: 7mlh was solved by K.Khatri, A.B.Kapingidza, C.M.Richardson, L.D.Vailes, S.Wunschmann, C.Dolamore, M.D.Chapman, S.A.Smith, A.Pomes, M.Chruszcz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.61 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.776, 231.458, 51.791, 90, 94.34, 90
R / Rfree (%)	21 / 24.7

The binding sites of Chlorine atom in the Crystal Structure of Human Ige (2F10) in Complex with Der P 2.0103 (pdb code 7mlh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Human Ige (2F10) in Complex with Der P 2.0103, PDB code: 7mlh:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Human Ige (2F10) in Complex with Der P 2.0103


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 Human Ige (2F10) in Complex with Der P 2.0103 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:32.1 occ:1.00 N A:PHE97 3.1 30.2 1.0 N C:TRP47 3.3 36.0 1.0 O C:HOH403 3.3 32.1 1.0 CA A:THR96 3.8 31.1 1.0 CB C:TRP47 3.9 35.1 1.0 CD2 A:PHE97 4.0 33.2 1.0 CB A:PHE97 4.0 31.4 1.0 C A:THR96 4.0 29.9 1.0 CA C:GLU46 4.0 39.7 1.0 CA A:PHE97 4.1 30.6 1.0 O A:PHE97 4.1 30.2 1.0 CG2 A:THR96 4.1 32.7 1.0 C C:GLU46 4.1 37.4 1.0 CA C:TRP47 4.2 36.2 1.0 O C:LEU45 4.3 35.6 1.0 CG A:PHE97 4.5 32.1 1.0 CB A:THR96 4.5 32.3 1.0 O A:ARG95 4.5 31.9 1.0 C A:PHE97 4.6 30.1 1.0 CG C:GLU46 4.6 48.1 1.0 O C:TRP47 4.7 37.5 1.0 CB C:GLU46 4.9 44.1 1.0 N A:THR96 4.9 30.7 1.0 N C:GLU46 4.9 38.0 1.0 C C:TRP47 5.0 37.0 1.0 C C:LEU45 5.0 36.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Human Ige (2F10) in Complex with Der P 2.0103


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 Human Ige (2F10) in Complex with Der P 2.0103 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl304 b:32.1 occ:1.00 N D:GLY107 3.4 43.5 1.0 OH D:TYR140 3.5 34.1 1.0 CE1 D:TYR140 3.7 31.9 1.0 CZ D:TYR140 4.0 32.3 1.0 CA D:LYS106 4.1 42.8 1.0 CG D:PRO141 4.1 34.6 1.0 C D:LYS106 4.1 43.6 1.0 CD D:LYS106 4.2 52.9 1.0 CA D:GLY107 4.2 44.3 1.0 N D:GLN108 4.3 41.8 1.0 CB D:LYS106 4.3 46.5 1.0 O D:GLN108 4.6 38.7 1.0 C D:GLY107 4.8 44.4 1.0 CB D:PRO141 4.8 33.6 1.0 CD1 D:TYR140 4.8 31.3 1.0 CG D:LYS106 4.9 50.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Human Ige (2F10) in Complex with Der P 2.0103


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 Human Ige (2F10) in Complex with Der P 2.0103 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl305 b:32.1 occ:1.00 O E:HOH406 3.1 27.5 1.0 N D:PHE97 3.2 24.5 1.0 N E:TRP47 3.3 24.0 1.0 CA D:THR96 3.8 25.6 1.0 CA E:GLU46 3.9 27.5 1.0 CB E:TRP47 3.9 24.3 1.0 CG2 D:THR96 4.0 26.6 1.0 C D:THR96 4.0 24.8 1.0 CB D:PHE97 4.1 24.7 1.0 C E:GLU46 4.1 25.1 1.0 CD2 D:PHE97 4.1 25.1 1.0 CA D:PHE97 4.1 24.6 1.0 CA E:TRP47 4.2 24.1 1.0 O D:PHE97 4.2 25.3 1.0 O E:LEU45 4.2 25.4 1.0 CB D:THR96 4.5 26.4 1.0 CG D:PHE97 4.6 24.4 1.0 O E:TRP47 4.6 24.1 1.0 O D:ARG95 4.6 26.2 1.0 C D:PHE97 4.7 25.0 1.0 CB E:GLU46 4.7 29.9 1.0 N E:GLU46 4.9 26.6 1.0 N D:THR96 4.9 25.4 1.0 C E:TRP47 4.9 24.2 1.0 C E:LEU45 4.9 26.4 1.0

K.Khatri, C.M.Richardson, J.Glesner, A.B.Kapingidza, G.A.Mueller, J.Zhang, C.Dolamore, L.D.Vailes, S.Wunschmann, R.S.Peebles Jr., M.D.Chapman, S.A.Smith, M.Chruszcz, A.Pomes. Human Ige Monoclonal Antibody Recognition of Mite Allergen Der P 2 Defines Structural Basis of An Epitope For Ige Cross-Linking and Anaphylaxis in Vivo. PNAS Nexus V. 1 AC054 2022.
ISSN: ESSN 2752-6542
PubMed: 35799831
DOI: 10.1093/PNASNEXUS/PGAC054