Chlorine in PDB 1kwu: Rat Mannose Binding Protein A Complexed with A-Me-Man

The structure of Rat Mannose Binding Protein A Complexed with A-Me-Man, PDB code: 1kwu was solved by K.K.Ng, A.R.Kolatkar, S.Park-Snyder, H.Feinberg, D.A.Clark, K.Drickamer, W.I.Weis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	78.890, 85.370, 98.270, 90.00, 106.30, 90.00
R / Rfree (%)	20.7 / 24.1

The structure of Rat Mannose Binding Protein A Complexed with A-Me-Man also contains other interesting chemical elements:

Calcium

(Ca)

10 atoms

The binding sites of Chlorine atom in the Rat Mannose Binding Protein A Complexed with A-Me-Man (pdb code 1kwu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Rat Mannose Binding Protein A Complexed with A-Me-Man, PDB code: 1kwu:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Rat Mannose Binding Protein A Complexed with A-Me-Man


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Rat Mannose Binding Protein A Complexed with A-Me-Man within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:20.5 occ:1.00 O A:HOH701 3.2 18.8 1.0 N A:ASP194 3.2 17.2 1.0 O A:HOH753 3.2 39.2 1.0 N A:CYS209 3.2 18.4 1.0 CA A:SER208 3.6 16.6 1.0 SG A:CYS209 3.8 20.3 1.0 CB A:ASP194 3.8 17.5 1.0 C A:SER208 4.0 16.0 1.0 CB A:CYS209 4.0 17.6 1.0 CA A:ASP194 4.0 16.6 1.0 CA A:GLU193 4.0 18.5 1.0 C A:GLU193 4.1 19.9 1.0 OG A:SER208 4.1 19.0 1.0 O A:GLY192 4.2 22.4 1.0 CA A:CYS209 4.2 19.4 1.0 CG A:ASP194 4.3 17.8 1.0 O A:HOH621 4.3 31.7 1.0 O A:ILE207 4.3 17.9 1.0 O A:HOH718 4.3 59.2 1.0 CB A:SER208 4.3 19.9 1.0 N A:GLU193 4.5 20.4 1.0 C A:GLY192 4.5 22.0 1.0 N A:CYS195 4.6 14.7 1.0 NE2 A:GLN210 4.6 42.2 1.0 O A:HOH716 4.6 67.6 1.0 OD1 A:ASP194 4.7 14.8 1.0 N A:SER208 4.7 18.1 1.0 C A:ASP194 4.7 15.5 1.0 OD2 A:ASP194 4.8 17.1 1.0 C A:ILE207 4.9 18.3 1.0 O A:HOH702 4.9 46.1 1.0

Chlorine binding site 2 out of 3 in the Rat Mannose Binding Protein A Complexed with A-Me-Man


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Rat Mannose Binding Protein A Complexed with A-Me-Man within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl605 b:40.8 occ:1.00 N B:ASP194 3.0 26.7 1.0 N B:CYS209 3.3 24.5 1.0 O B:HOH667 3.3 47.4 1.0 CA B:SER208 3.7 25.9 1.0 SG B:CYS209 3.7 28.0 1.0 CB B:ASP194 3.7 28.6 1.0 CA B:ASP194 3.8 26.2 1.0 C B:GLU193 3.9 29.0 1.0 CA B:GLU193 3.9 31.4 1.0 CB B:CYS209 4.0 27.4 1.0 C B:SER208 4.0 26.3 1.0 O B:GLY192 4.1 37.0 1.0 OG B:SER208 4.1 30.5 1.0 O B:ILE207 4.2 22.8 1.0 CA B:CYS209 4.3 28.1 1.0 N B:CYS195 4.3 23.1 1.0 OE1 B:GLN210 4.3 52.8 1.0 N B:GLU193 4.4 34.1 1.0 CG B:ASP194 4.4 28.8 1.0 CB B:SER208 4.4 25.8 1.0 C B:GLY192 4.4 36.5 1.0 C B:ASP194 4.4 26.1 1.0 O B:HOH668 4.6 42.2 1.0 N B:SER208 4.7 24.3 1.0 OD2 B:ASP194 4.8 24.2 1.0 C B:ILE207 4.9 26.0 1.0 OD1 B:ASP194 4.9 29.4 1.0 O B:HOH729 5.0 59.4 1.0

Chlorine binding site 3 out of 3 in the Rat Mannose Binding Protein A Complexed with A-Me-Man


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Rat Mannose Binding Protein A Complexed with A-Me-Man within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl705 b:25.5 occ:1.00 O C:HOH775 3.1 25.9 1.0 N C:ASP194 3.2 22.8 1.0 N C:CYS209 3.3 23.1 1.0 O C:HOH776 3.3 46.0 1.0 CB C:ASP194 3.7 22.5 1.0 SG C:CYS209 3.8 25.2 1.0 CA C:SER208 3.8 23.4 1.0 CB C:CYS209 4.0 23.4 1.0 CA C:GLU193 4.0 21.7 1.0 CA C:ASP194 4.0 23.6 1.0 C C:GLU193 4.0 22.9 1.0 C C:SER208 4.0 23.2 1.0 O C:GLY192 4.1 25.3 1.0 O C:HOH831 4.1 55.7 1.0 CG C:ASP194 4.2 22.3 1.0 CA C:CYS209 4.2 25.0 1.0 OG C:SER208 4.3 26.4 1.0 N C:GLU193 4.4 22.6 1.0 C C:GLY192 4.4 24.9 1.0 O C:ILE207 4.4 23.1 1.0 CB C:SER208 4.5 22.7 1.0 OD1 C:ASP194 4.6 17.4 1.0 N C:CYS195 4.6 22.0 1.0 C C:ASP194 4.7 22.9 1.0 OD2 C:ASP194 4.7 19.5 1.0 N C:SER208 4.8 22.4 1.0 O C:HOH812 4.9 49.9 1.0 O C:HOH841 4.9 45.4 1.0

K.K.Ng, A.R.Kolatkar, S.Park-Snyder, H.Feinberg, D.A.Clark, K.Drickamer, W.I.Weis. Orientation of Bound Ligands in Mannose-Binding Proteins. Implications For Multivalent Ligand Recognition. J.Biol.Chem. V. 277 16088 2002.
ISSN: ISSN 0021-9258
PubMed: 11850428
DOI: 10.1074/JBC.M200493200