Chlorine in PDB 1kwt: Rat Mannose Binding Protein A (Native, Mpd)

The structure of Rat Mannose Binding Protein A (Native, Mpd), PDB code: 1kwt was solved by K.K.S.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 (°)	78.590, 85.370, 97.990, 90.00, 106.80, 90.00
R / Rfree (%)	19.8 / 23.4

The structure of Rat Mannose Binding Protein A (Native, Mpd) also contains other interesting chemical elements:

Calcium

(Ca)

10 atoms

The binding sites of Chlorine atom in the Rat Mannose Binding Protein A (Native, Mpd) (pdb code 1kwt). 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 (Native, Mpd), PDB code: 1kwt:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Rat Mannose Binding Protein A (Native, Mpd)


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 (Native, Mpd) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:20.5 occ:1.00 O A:HOH753 3.0 56.0 1.0 O A:HOH693 3.2 16.2 1.0 N A:ASP194 3.2 15.4 1.0 N A:CYS209 3.2 17.3 1.0 O A:HOH751 3.3 39.4 1.0 CA A:SER208 3.7 18.5 1.0 SG A:CYS209 3.7 19.9 1.0 CB A:ASP194 3.8 18.1 1.0 CB A:CYS209 3.9 18.5 1.0 C A:SER208 3.9 17.5 1.0 CA A:ASP194 4.0 14.8 1.0 CA A:GLU193 4.0 16.4 1.0 C A:GLU193 4.1 17.6 1.0 O A:GLY192 4.1 17.0 1.0 OG A:SER208 4.1 19.2 1.0 CA A:CYS209 4.2 19.4 1.0 CG A:ASP194 4.2 17.6 1.0 O A:ILE207 4.3 17.1 1.0 O A:HOH620 4.3 26.5 1.0 CB A:SER208 4.4 18.3 1.0 NE2 A:GLN210 4.4 43.2 1.0 N A:GLU193 4.5 16.8 1.0 C A:GLY192 4.5 17.2 1.0 OD1 A:ASP194 4.5 14.6 1.0 N A:CYS195 4.5 15.7 1.0 C A:ASP194 4.7 15.7 1.0 N A:SER208 4.7 17.0 1.0 OD2 A:ASP194 4.8 17.1 1.0 O A:HOH694 4.8 38.3 1.0 C A:ILE207 4.9 17.7 1.0

Chlorine binding site 2 out of 3 in the Rat Mannose Binding Protein A (Native, Mpd)


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 (Native, Mpd) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl604 b:40.0 occ:1.00 N B:ASP194 3.0 21.4 1.0 N B:CYS209 3.2 25.9 1.0 SG B:CYS209 3.7 27.3 1.0 CA B:SER208 3.7 26.2 1.0 CB B:ASP194 3.7 24.9 1.0 CA B:ASP194 3.8 22.7 1.0 CB B:CYS209 3.9 24.8 1.0 C B:GLU193 3.9 24.0 1.0 CA B:GLU193 3.9 26.2 1.0 C B:SER208 4.0 27.3 1.0 O B:GLY192 4.0 33.5 1.0 O B:ILE207 4.2 23.3 1.0 CA B:CYS209 4.2 28.1 1.0 CG B:ASP194 4.3 24.2 1.0 OG B:SER208 4.3 33.1 1.0 N B:CYS195 4.3 21.2 1.0 N B:GLU193 4.4 30.1 1.0 C B:GLY192 4.4 32.4 1.0 C B:ASP194 4.4 22.6 1.0 OE1 B:GLN210 4.5 51.0 1.0 CB B:SER208 4.5 26.8 1.0 N B:SER208 4.7 24.9 1.0 OD1 B:ASP194 4.7 24.8 1.0 OD2 B:ASP194 4.8 25.3 1.0 C B:ILE207 4.8 25.7 1.0

Chlorine binding site 3 out of 3 in the Rat Mannose Binding Protein A (Native, Mpd)


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 (Native, Mpd) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl704 b:29.2 occ:1.00 O C:HOH770 3.2 19.5 1.0 N C:ASP194 3.2 20.2 1.0 N C:CYS209 3.2 22.2 1.0 SG C:CYS209 3.7 25.5 1.0 CB C:ASP194 3.7 20.2 1.0 CA C:SER208 3.8 21.9 1.0 CB C:CYS209 3.8 22.7 1.0 OE1 C:GLN210 3.9 46.8 1.0 CA C:ASP194 4.0 18.2 1.0 C C:SER208 4.0 21.3 1.0 O C:GLY192 4.0 21.4 1.0 CA C:GLU193 4.0 20.3 1.0 C C:GLU193 4.1 18.8 1.0 CA C:CYS209 4.1 23.5 1.0 CG C:ASP194 4.2 20.9 1.0 OG C:SER208 4.2 23.5 1.0 C C:GLY192 4.4 22.4 1.0 O C:HOH810 4.4 39.5 1.0 N C:GLU193 4.4 18.8 1.0 O C:ILE207 4.5 23.3 1.0 CB C:SER208 4.5 20.4 1.0 OD1 C:ASP194 4.5 16.4 1.0 N C:CYS195 4.6 19.5 1.0 C C:ASP194 4.7 20.3 1.0 OD2 C:ASP194 4.8 18.0 1.0 N C:SER208 4.8 19.8 1.0 CD C:GLN210 4.9 41.7 1.0 N C:GLN210 5.0 25.5 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