Chlorine in PDB 1fih: N-Acetylgalactosamine Binding Mutant of Mannose-Binding Protein A (Qpdwg-Hdrpy), Complex with N-Acetylgalactosamine

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

Resolution Low / High (Å)	28.66 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.490, 84.552, 98.542, 90.00, 105.43, 90.00
R / Rfree (%)	23.7 / 26.9

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

Calcium

(Ca)

9 atoms

The binding sites of Chlorine atom in the N-Acetylgalactosamine Binding Mutant of Mannose-Binding Protein A (Qpdwg-Hdrpy), Complex with N-Acetylgalactosamine (pdb code 1fih). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the N-Acetylgalactosamine Binding Mutant of Mannose-Binding Protein A (Qpdwg-Hdrpy), Complex with N-Acetylgalactosamine, PDB code: 1fih:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the N-Acetylgalactosamine Binding Mutant of Mannose-Binding Protein A (Qpdwg-Hdrpy), Complex with N-Acetylgalactosamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of N-Acetylgalactosamine Binding Mutant of Mannose-Binding Protein A (Qpdwg-Hdrpy), Complex with N-Acetylgalactosamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl415 b:42.1 occ:1.00 O A:HOH486 2.8 45.0 1.0 O A:HOH425 2.8 30.9 1.0 N A:ASP199 3.1 25.3 1.0 N A:CYS214 3.2 29.8 1.0 CA A:SER213 3.7 28.3 1.0 SG A:CYS214 3.7 39.5 1.0 CB A:ASP199 3.7 23.4 1.0 O A:GLY197 3.8 29.6 1.0 C A:SER213 3.9 28.6 1.0 CA A:ASP199 3.9 24.5 1.0 CB A:CYS214 4.0 31.8 1.0 CA A:GLU198 4.0 28.9 1.0 C A:GLU198 4.0 28.0 1.0 O A:ASP212 4.2 23.6 1.0 CA A:CYS214 4.2 31.4 1.0 CG A:ASP199 4.2 22.8 1.0 OG A:SER213 4.3 31.8 1.0 C A:GLY197 4.3 31.5 1.0 O A:HOH482 4.3 49.5 1.0 CB A:SER213 4.4 29.1 1.0 N A:GLU198 4.4 28.9 1.0 OD2 A:ASP199 4.5 25.7 1.0 N A:CYS200 4.5 24.6 1.0 C A:ASP199 4.6 24.8 1.0 N A:SER213 4.7 25.9 1.0 C A:ASP212 4.8 26.0 1.0 OD1 A:ASP199 4.9 22.4 1.0

Chlorine binding site 2 out of 3 in the N-Acetylgalactosamine Binding Mutant of Mannose-Binding Protein A (Qpdwg-Hdrpy), Complex with N-Acetylgalactosamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of N-Acetylgalactosamine Binding Mutant of Mannose-Binding Protein A (Qpdwg-Hdrpy), Complex with N-Acetylgalactosamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl416 b:65.9 occ:1.00 N B:ASP199 3.2 48.1 1.0 N B:CYS214 3.4 44.8 1.0 SG B:CYS214 3.5 52.0 1.0 O B:GLY197 3.6 51.1 1.0 CA B:SER213 3.9 42.6 1.0 CB B:ASP199 3.9 48.9 1.0 CB B:CYS214 4.0 48.6 1.0 CA B:ASP199 4.0 47.0 1.0 CA B:GLU198 4.0 48.8 1.0 OD2 B:ASP199 4.0 52.7 1.0 C B:GLU198 4.1 48.2 1.0 C B:SER213 4.1 43.6 1.0 CG B:ASP199 4.2 50.9 1.0 O B:ASP212 4.2 44.0 1.0 C B:GLY197 4.2 52.6 1.0 OG B:SER213 4.3 42.5 1.0 CA B:CYS214 4.3 48.7 1.0 N B:GLU198 4.4 50.1 1.0 N B:CYS200 4.5 47.1 1.0 CB B:SER213 4.6 41.6 1.0 C B:ASP199 4.6 47.0 1.0 N B:SER213 4.9 42.3 1.0 OE2 B:GLU162 4.9 59.6 1.0 C B:ASP212 4.9 43.3 1.0

Chlorine binding site 3 out of 3 in the N-Acetylgalactosamine Binding Mutant of Mannose-Binding Protein A (Qpdwg-Hdrpy), Complex with N-Acetylgalactosamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of N-Acetylgalactosamine Binding Mutant of Mannose-Binding Protein A (Qpdwg-Hdrpy), Complex with N-Acetylgalactosamine within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl417 b:43.0 occ:1.00 O C:HOH424 3.0 37.1 1.0 N C:CYS214 3.1 34.6 1.0 N C:ASP199 3.2 28.5 1.0 SG C:CYS214 3.6 40.8 1.0 CA C:SER213 3.6 33.1 1.0 O C:GLY197 3.7 35.9 1.0 CB C:ASP199 3.8 27.4 1.0 C C:SER213 3.8 33.7 1.0 CB C:CYS214 3.9 37.4 1.0 CA C:GLU198 4.0 32.9 1.0 CA C:ASP199 4.0 29.1 1.0 C C:GLU198 4.0 31.4 1.0 CA C:CYS214 4.1 35.5 1.0 O C:ASP212 4.1 31.0 1.0 O C:HOH437 4.2 40.4 1.0 C C:GLY197 4.2 35.1 1.0 OG C:SER213 4.2 34.5 1.0 CG C:ASP199 4.3 27.2 1.0 CB C:SER213 4.4 34.5 1.0 N C:GLU198 4.4 34.3 1.0 N C:CYS200 4.5 32.2 1.0 OD2 C:ASP199 4.6 27.4 1.0 C C:ASP199 4.6 30.4 1.0 N C:SER213 4.6 31.0 1.0 C C:ASP212 4.8 29.7 1.0 OD1 C:ASP199 4.8 26.9 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