Chlorine in PDB 2vxt: Crystal Structure of Human Il-18 Complexed to Murine Reference Antibody 125-2H Fab

The structure of Crystal Structure of Human Il-18 Complexed to Murine Reference Antibody 125-2H Fab, PDB code: 2vxt was solved by M.A.Argiriadi, T.Xiang, C.Wu, T.Ghayur, D.W.Borhani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.16 / 1.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.345, 62.435, 104.734, 90.00, 100.39, 90.00
R / Rfree (%)	16.2 / 19.6

The structure of Crystal Structure of Human Il-18 Complexed to Murine Reference Antibody 125-2H Fab also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human Il-18 Complexed to Murine Reference Antibody 125-2H Fab (pdb code 2vxt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Il-18 Complexed to Murine Reference Antibody 125-2H Fab, PDB code: 2vxt:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Il-18 Complexed to Murine Reference Antibody 125-2H Fab


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 Il-18 Complexed to Murine Reference Antibody 125-2H Fab within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl1214 b:27.5 occ:1.00 N H:TYR59 3.3 13.7 1.0 NE H:ARG64 3.4 23.1 1.0 O H:HOH2087 3.7 38.5 1.0 NE2 H:GLN61 3.8 23.0 1.0 CD1 H:TYR59 3.8 16.1 1.0 CA H:SER58 3.8 14.3 0.5 CD H:ARG64 3.9 20.5 1.0 CB H:TYR59 4.0 15.2 1.0 CA H:SER58 4.0 13.8 0.5 O H:TYR59 4.1 14.9 1.0 C H:SER58 4.1 14.4 0.5 C H:SER58 4.1 13.8 0.5 CA H:TYR59 4.1 14.3 1.0 O I:HOH2079 4.2 26.0 1.0 O H:HOH2090 4.2 38.2 1.0 CG H:TYR59 4.4 15.4 1.0 CB H:SER58 4.4 14.6 0.5 C H:TYR59 4.5 13.7 1.0 CZ H:ARG64 4.5 23.7 1.0 CG H:ARG64 4.6 17.6 1.0 O H:THR57 4.6 15.5 1.0 CD H:GLN61 4.8 18.2 1.0 NH2 H:ARG64 4.8 25.3 1.0 OE1 H:GLN61 4.8 20.2 1.0 OG H:SER58 4.9 12.8 0.5 CE1 H:TYR59 4.9 15.1 1.0 N H:SER58 4.9 14.1 0.5 N H:SER58 4.9 14.5 0.5 CB H:SER58 5.0 13.5 0.5

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Il-18 Complexed to Murine Reference Antibody 125-2H Fab


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 Il-18 Complexed to Murine Reference Antibody 125-2H Fab within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl1193 b:28.9 occ:1.00 O I:HOH2081 2.9 31.8 1.0 N I:ASN147 3.0 18.5 1.0 NZ I:LYS148 3.3 28.9 1.0 C I:HIS145 3.4 16.0 1.0 N I:ASP146 3.6 15.8 1.0 CB I:ASN147 3.6 21.9 1.0 CA I:ASN147 3.6 19.9 1.0 CA I:HIS145 3.7 15.8 1.0 CB I:HIS145 3.8 15.4 1.0 O I:HIS145 3.8 16.6 1.0 N I:LYS148 3.8 18.4 1.0 CG I:LYS148 3.9 19.3 1.0 C I:ASN147 3.9 21.1 1.0 C I:ASP146 4.1 17.5 1.0 ND2 I:ASN147 4.3 33.3 1.0 CE I:LYS148 4.3 24.3 1.0 OD2 H:ASP56 4.4 18.1 1.0 CA I:ASP146 4.4 16.9 1.0 CD I:LYS148 4.4 21.9 1.0 CG I:ASN147 4.4 27.1 1.0 ND1 I:HIS145 4.5 17.5 1.0 CG I:HIS145 4.6 14.9 1.0 CB I:LYS148 4.7 18.4 1.0 O I:HOH2084 4.8 26.5 1.0 O I:ASN147 4.8 23.2 1.0 CA I:LYS148 4.9 18.9 1.0

M.A.Argiriadi, T.Xiang, C.Wu, T.Ghayur, D.W.Borhani. Unusual Water-Mediated Antigenic Recognition of the Proinflammatory Cytokine Interleukin-18. J.Biol.Chem. V. 284 24478 2009.
ISSN: ISSN 0021-9258
PubMed: 19553661
DOI: 10.1074/JBC.M109.023887