Chlorine in PDB 1fif: N-Acetylgalactosamine-Selective Mutant of Mannose-Binding Protein-A (Qpdwg-Hdrpy)

The structure of N-Acetylgalactosamine-Selective Mutant of Mannose-Binding Protein-A (Qpdwg-Hdrpy), PDB code: 1fif was solved by H.Feinberg, D.Torgersen, K.Drickamer, W.I.Weis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.68 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.340, 84.833, 97.142, 90.00, 107.88, 90.00
R / Rfree (%)	19.3 / 22.9

The structure of N-Acetylgalactosamine-Selective Mutant of Mannose-Binding Protein-A (Qpdwg-Hdrpy) also contains other interesting chemical elements:

Calcium

(Ca)

9 atoms

The binding sites of Chlorine atom in the N-Acetylgalactosamine-Selective Mutant of Mannose-Binding Protein-A (Qpdwg-Hdrpy) (pdb code 1fif). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the N-Acetylgalactosamine-Selective Mutant of Mannose-Binding Protein-A (Qpdwg-Hdrpy), PDB code: 1fif:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the N-Acetylgalactosamine-Selective Mutant of Mannose-Binding Protein-A (Qpdwg-Hdrpy)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of N-Acetylgalactosamine-Selective Mutant of Mannose-Binding Protein-A (Qpdwg-Hdrpy) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl415 b:29.3 occ:1.00 O A:HOH556 2.9 26.5 1.0 O A:HOH516 3.1 33.6 1.0 N A:ASP199 3.1 11.8 1.0 N A:CYS214 3.1 15.5 1.0 O A:HOH465 3.3 24.9 1.0 CA A:SER213 3.6 14.4 1.0 SG A:CYS214 3.6 19.6 1.0 CB A:ASP199 3.8 13.3 1.0 O A:GLY197 3.8 16.2 1.0 CA A:GLU198 3.9 13.9 1.0 C A:SER213 3.9 15.6 1.0 CB A:CYS214 3.9 18.1 1.0 CA A:ASP199 3.9 12.6 1.0 C A:GLU198 3.9 14.3 1.0 OG A:SER213 4.1 17.0 1.0 O A:ASP212 4.1 14.8 1.0 CA A:CYS214 4.1 17.7 1.0 C A:GLY197 4.3 18.9 1.0 CG A:ASP199 4.3 14.4 1.0 CB A:SER213 4.3 16.1 1.0 N A:GLU198 4.3 15.3 1.0 N A:CYS200 4.4 12.0 1.0 O A:HOH513 4.4 31.5 1.0 C A:ASP199 4.5 12.4 1.0 N A:SER213 4.6 15.3 1.0 OD1 A:ASP199 4.8 13.0 1.0 C A:ASP212 4.8 14.8 1.0 OD2 A:ASP199 4.8 16.9 1.0

Chlorine binding site 2 out of 2 in the N-Acetylgalactosamine-Selective Mutant of Mannose-Binding Protein-A (Qpdwg-Hdrpy)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of N-Acetylgalactosamine-Selective Mutant of Mannose-Binding Protein-A (Qpdwg-Hdrpy) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl416 b:22.5 occ:1.00 N C:CYS214 3.2 16.4 1.0 O C:HOH426 3.2 26.0 1.0 N C:ASP199 3.2 15.0 1.0 O C:HOH420 3.4 14.8 1.0 SG C:CYS214 3.6 21.9 1.0 CA C:SER213 3.7 16.7 1.0 CB C:CYS214 3.8 19.7 1.0 CB C:ASP199 3.9 15.3 1.0 O C:GLY197 3.9 18.0 1.0 C C:SER213 3.9 16.9 1.0 CA C:GLU198 4.0 15.2 1.0 C C:GLU198 4.0 15.5 1.0 CA C:ASP199 4.1 15.7 1.0 CA C:CYS214 4.1 19.5 1.0 OG C:SER213 4.2 20.8 1.0 CG C:ASP199 4.3 15.2 1.0 O C:ASP212 4.3 17.6 1.0 C C:GLY197 4.3 18.9 1.0 N C:GLU198 4.4 16.9 1.0 CB C:SER213 4.5 17.4 1.0 OD2 C:ASP199 4.5 15.3 1.0 N C:CYS200 4.6 18.2 1.0 C C:ASP199 4.7 17.3 1.0 N C:SER213 4.8 16.1 1.0 OD1 C:ASP199 4.8 13.5 1.0 C C:ASP212 5.0 17.0 1.0 N C:GLN215 5.0 21.6 1.0

H.Feinberg, D.Torgersen, K.Drickamer, W.I.Weis. Mechanism of pH-Dependent N-Acetylgalactosamine Binding By A Functional Mimic of the Hepatocyte Asialoglycoprotein Receptor. J.Biol.Chem. V. 275 35176 2000.
ISSN: ISSN 0021-9258
PubMed: 10931846
DOI: 10.1074/JBC.M005557200