Chlorine in PDB 1bcj: Mannose-Binding Protein-A Mutant (Qpdwghv) Complexed with N- Acetyl-D-Galactosamine

The structure of Mannose-Binding Protein-A Mutant (Qpdwghv) Complexed with N- Acetyl-D-Galactosamine, PDB code: 1bcj was solved by A.R.Kolatkar, W.I.Weis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.920, 84.530, 97.860, 90.00, 104.49, 90.00
R / Rfree (%)	22 / 26.1

The structure of Mannose-Binding Protein-A Mutant (Qpdwghv) Complexed with N- Acetyl-D-Galactosamine also contains other interesting chemical elements:

Calcium

(Ca)

9 atoms

The binding sites of Chlorine atom in the Mannose-Binding Protein-A Mutant (Qpdwghv) Complexed with N- Acetyl-D-Galactosamine (pdb code 1bcj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Mannose-Binding Protein-A Mutant (Qpdwghv) Complexed with N- Acetyl-D-Galactosamine, PDB code: 1bcj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Mannose-Binding Protein-A Mutant (Qpdwghv) Complexed with N- Acetyl-D-Galactosamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mannose-Binding Protein-A Mutant (Qpdwghv) Complexed with N- Acetyl-D-Galactosamine within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl4 b:41.8 occ:1.00 O 1:HOH243 3.2 30.3 1.0 N 1:ASP199 3.3 23.1 1.0 N 1:CYS214 3.4 26.3 1.0 CB 1:ASP199 3.7 23.4 1.0 SG 1:CYS214 3.7 27.4 1.0 O 1:GLY197 3.9 29.4 1.0 CA 1:SER213 3.9 25.2 1.0 CB 1:CYS214 4.0 29.6 1.0 CA 1:ASP199 4.0 22.7 1.0 CG 1:ASP199 4.0 22.5 1.0 CA 1:GLU198 4.1 28.2 1.0 OG 1:SER213 4.1 27.1 1.0 OE1 1:GLN215 4.1 54.5 1.0 C 1:GLU198 4.1 26.1 1.0 C 1:SER213 4.2 27.1 1.0 O 1:HOH311 4.2 41.2 1.0 C 1:GLY197 4.3 31.4 1.0 CA 1:CYS214 4.3 29.7 1.0 OD2 1:ASP199 4.3 27.0 1.0 N 1:GLU198 4.4 30.3 1.0 CB 1:SER213 4.4 27.8 1.0 OD1 1:ASP199 4.5 26.0 1.0 O 1:ILE212 4.7 22.6 1.0 N 1:CYS200 4.7 23.2 1.0 C 1:ASP199 4.7 23.4 1.0 O 1:HOH317 4.7 49.8 1.0 NE2 1:GLN215 4.7 52.8 1.0 CD 1:GLN215 4.8 50.4 1.0

Chlorine binding site 2 out of 2 in the Mannose-Binding Protein-A Mutant (Qpdwghv) Complexed with N- Acetyl-D-Galactosamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mannose-Binding Protein-A Mutant (Qpdwghv) Complexed with N- Acetyl-D-Galactosamine within 5.0Å range: probe atom residue distance (Å) B Occ 3:Cl4 b:35.8 occ:1.00 N 3:ASP199 3.2 25.3 1.0 O 3:HOH240 3.2 34.5 1.0 N 3:CYS214 3.3 26.6 1.0 O 3:HOH265 3.4 33.3 1.0 SG 3:CYS214 3.7 25.4 1.0 O 3:HOH316 3.8 47.1 1.0 CA 3:SER213 3.8 27.2 1.0 CB 3:ASP199 3.8 25.1 1.0 CB 3:CYS214 3.9 25.4 1.0 O 3:GLY197 4.0 29.2 1.0 CA 3:GLU198 4.0 27.7 1.0 CA 3:ASP199 4.0 25.2 1.0 C 3:SER213 4.0 26.7 1.0 C 3:GLU198 4.1 25.7 1.0 O 3:HOH264 4.1 34.7 1.0 OG 3:SER213 4.2 27.4 1.0 CA 3:CYS214 4.2 27.0 1.0 CG 3:ASP199 4.2 26.2 1.0 C 3:GLY197 4.4 28.9 1.0 N 3:GLU198 4.4 27.4 1.0 O 3:ILE212 4.4 26.9 1.0 CB 3:SER213 4.4 29.3 1.0 N 3:CYS200 4.5 25.6 1.0 OD1 3:ASP199 4.6 24.5 1.0 OD2 3:ASP199 4.7 24.7 1.0 C 3:ASP199 4.7 26.2 1.0 N 3:SER213 4.8 27.3 1.0 N 3:GLN215 5.0 29.9 1.0

A.R.Kolatkar, A.K.Leung, R.Isecke, R.Brossmer, K.Drickamer, W.I.Weis. Mechanism of N-Acetylgalactosamine Binding to A C-Type Animal Lectin Carbohydrate-Recognition Domain. J.Biol.Chem. V. 273 19502 1998.
ISSN: ISSN 0021-9258
PubMed: 9677372
DOI: 10.1074/JBC.273.31.19502