Chlorine in PDB 1kwv: Rat Mannose Binding Protein A Complexed with A-Me-Glcnac

The structure of Rat Mannose Binding Protein A Complexed with A-Me-Glcnac, PDB code: 1kwv 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 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	79.000, 85.290, 98.330, 90.00, 105.60, 90.00
R / Rfree (%)	21.2 / 24.9

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

Calcium

(Ca)

9 atoms

The binding sites of Chlorine atom in the Rat Mannose Binding Protein A Complexed with A-Me-Glcnac (pdb code 1kwv). 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-Glcnac, PDB code: 1kwv:
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-Glcnac


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-Glcnac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:23.4 occ:1.00 O A:HOH594 3.1 19.2 1.0 N A:CYS209 3.2 22.2 1.0 N A:ASP194 3.3 17.3 1.0 CA A:SER208 3.7 20.3 1.0 SG A:CYS209 3.8 21.7 1.0 CB A:ASP194 3.8 19.1 1.0 O A:HOH612 3.8 64.0 1.0 CB A:CYS209 4.0 20.6 1.0 C A:SER208 4.0 20.1 1.0 CA A:ASP194 4.0 16.7 1.0 CA A:GLU193 4.1 20.1 1.0 OG A:SER208 4.1 18.8 1.0 C A:GLU193 4.1 17.9 1.0 O A:GLY192 4.2 23.0 1.0 CA A:CYS209 4.2 22.6 1.0 CG A:ASP194 4.3 20.0 1.0 O A:HOH518 4.3 35.4 1.0 O A:HOH595 4.3 60.5 1.0 CB A:SER208 4.4 21.3 1.0 O A:ILE207 4.4 21.0 1.0 N A:GLU193 4.6 21.2 1.0 C A:GLY192 4.6 21.0 1.0 OD1 A:ASP194 4.6 18.1 1.0 N A:CYS195 4.6 17.3 1.0 NE2 A:GLN210 4.7 50.6 1.0 C A:ASP194 4.7 20.1 1.0 O A:HOH608 4.8 51.0 1.0 N A:SER208 4.8 22.3 1.0 OD2 A:ASP194 4.8 19.3 1.0

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


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-Glcnac within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl605 b:51.4 occ:1.00 N B:ASP194 3.0 32.0 1.0 N B:CYS209 3.2 32.1 1.0 SG B:CYS209 3.6 35.6 1.0 O B:HOH666 3.6 58.0 1.0 CB B:ASP194 3.7 36.1 1.0 CA B:SER208 3.7 31.1 1.0 CA B:ASP194 3.8 33.5 1.0 CB B:CYS209 3.9 36.3 1.0 C B:GLU193 3.9 33.8 1.0 C B:SER208 3.9 31.9 1.0 CA B:GLU193 3.9 36.5 1.0 O B:ILE207 4.1 27.9 1.0 O B:GLY192 4.1 44.0 1.0 CA B:CYS209 4.1 37.3 1.0 CG B:ASP194 4.2 38.6 1.0 OE1 B:GLN210 4.3 61.3 1.0 N B:CYS195 4.3 31.2 1.0 OG B:SER208 4.3 32.3 1.0 C B:ASP194 4.4 33.8 1.0 N B:GLU193 4.4 41.3 1.0 C B:GLY192 4.5 44.0 1.0 CB B:SER208 4.5 30.9 1.0 N B:SER208 4.7 30.0 1.0 OD2 B:ASP194 4.7 36.3 1.0 OD1 B:ASP194 4.7 38.1 1.0 C B:ILE207 4.8 31.1 1.0

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


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-Glcnac within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl705 b:27.3 occ:1.00 O C:HOH771 3.0 23.6 1.0 N C:CYS209 3.2 24.4 1.0 N C:ASP194 3.3 21.8 1.0 CA C:SER208 3.8 22.4 1.0 SG C:CYS209 3.8 25.3 1.0 CB C:ASP194 3.8 21.1 1.0 CB C:CYS209 3.9 26.0 1.0 OE1 C:GLN210 3.9 56.1 1.0 C C:SER208 4.0 22.2 1.0 O C:HOH819 4.0 35.6 1.0 CA C:GLU193 4.1 23.5 1.0 CA C:ASP194 4.1 21.6 1.0 C C:GLU193 4.1 22.3 1.0 CA C:CYS209 4.1 26.4 1.0 O C:GLY192 4.1 24.9 1.0 CG C:ASP194 4.2 20.7 1.0 OG C:SER208 4.2 27.1 1.0 O C:ILE207 4.4 20.8 1.0 N C:GLU193 4.4 22.3 1.0 C C:GLY192 4.5 24.1 1.0 CB C:SER208 4.5 23.4 1.0 OD1 C:ASP194 4.5 19.7 1.0 N C:CYS195 4.7 21.6 1.0 OD2 C:ASP194 4.8 19.3 1.0 C C:ASP194 4.8 22.0 1.0 N C:SER208 4.8 19.8 1.0 CD C:GLN210 4.9 51.2 1.0 O C:HOH838 5.0 40.5 1.0 N C:GLN210 5.0 28.5 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