Chlorine in PDB 1kx0: Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man

The structure of Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man, PDB code: 1kx0 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 (°)	79.080, 85.110, 97.660, 90.00, 97.66, 90.00
R / Rfree (%)	20.1 / 23.2

The structure of Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man also contains other interesting chemical elements:

Calcium

(Ca)

9 atoms

The binding sites of Chlorine atom in the Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-Man (pdb code 1kx0). 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 Protein A (H189V I207V) Complexed with Man-A13-Man, PDB code: 1kx0:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-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 Protein A (H189V I207V) Complexed with Man-A13-Man within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:26.0 occ:1.00 O A:HOH557 3.2 23.6 1.0 N A:CYS209 3.2 23.4 1.0 N A:ASP194 3.3 19.6 1.0 O A:HOH603 3.4 44.8 1.0 O A:HOH661 3.6 57.6 1.0 CA A:SER208 3.7 21.8 1.0 SG A:CYS209 3.7 25.4 1.0 CB A:ASP194 3.8 19.1 1.0 CB A:CYS209 4.0 23.7 1.0 C A:SER208 4.0 22.6 1.0 CA A:ASP194 4.0 20.1 1.0 CA A:GLU193 4.1 20.8 1.0 C A:GLU193 4.1 20.4 1.0 OG A:SER208 4.1 20.4 1.0 CG A:ASP194 4.2 20.3 1.0 O A:GLY192 4.2 20.5 1.0 O A:VAL207 4.2 20.1 1.0 CA A:CYS209 4.2 25.1 1.0 O A:HOH555 4.2 36.2 1.0 CB A:SER208 4.4 21.5 1.0 OD1 A:ASP194 4.5 19.3 1.0 N A:GLU193 4.6 20.8 1.0 C A:GLY192 4.6 23.1 1.0 N A:CYS195 4.6 19.1 1.0 C A:ASP194 4.7 20.7 1.0 N A:SER208 4.7 21.8 1.0 OD2 A:ASP194 4.8 20.0 1.0 O A:HOH621 4.8 34.2 1.0 C A:VAL207 4.9 22.1 1.0

Chlorine binding site 2 out of 3 in the Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-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 Protein A (H189V I207V) Complexed with Man-A13-Man within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl606 b:50.8 occ:1.00 N B:ASP194 3.2 23.2 1.0 O B:HOH643 3.2 34.6 1.0 N B:CYS209 3.3 28.5 1.0 CB B:ASP194 3.7 22.8 1.0 CA B:SER208 3.8 26.5 1.0 SG B:CYS209 3.8 27.3 1.0 O B:GLY192 3.9 30.3 1.0 CA B:ASP194 3.9 23.7 1.0 CB B:CYS209 4.0 29.0 1.0 C B:SER208 4.0 27.6 1.0 CA B:GLU193 4.1 26.7 1.0 C B:GLU193 4.1 25.0 1.0 OG B:SER208 4.1 24.6 1.0 CG B:ASP194 4.2 23.1 1.0 CA B:CYS209 4.3 29.6 1.0 O B:VAL207 4.3 27.2 1.0 OE1 B:GLN210 4.4 48.3 1.0 C B:GLY192 4.4 32.0 1.0 CB B:SER208 4.4 26.5 1.0 N B:CYS195 4.5 22.6 1.0 N B:GLU193 4.6 28.7 1.0 OD1 B:ASP194 4.6 25.4 1.0 C B:ASP194 4.6 24.3 1.0 O B:HOH681 4.6 35.9 1.0 OD2 B:ASP194 4.7 22.6 1.0 N B:SER208 4.8 26.8 1.0 C B:VAL207 5.0 25.8 1.0

Chlorine binding site 3 out of 3 in the Rat Mannose Protein A (H189V I207V) Complexed with Man-A13-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 Protein A (H189V I207V) Complexed with Man-A13-Man within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl706 b:43.8 occ:1.00 N C:CYS209 3.3 41.1 1.0 N C:ASP194 3.3 39.1 1.0 O C:HOH726 3.4 32.7 1.0 OE1 C:GLN210 3.6 54.8 1.0 SG C:CYS209 3.8 42.6 1.0 CA C:SER208 3.9 41.1 1.0 CB C:ASP194 3.9 36.7 1.0 CB C:CYS209 3.9 41.5 1.0 CA C:GLU193 4.1 41.4 1.0 OG C:SER208 4.1 40.1 1.0 C C:SER208 4.1 40.9 1.0 CG C:ASP194 4.1 36.8 1.0 C C:GLU193 4.2 40.2 1.0 CA C:ASP194 4.2 37.8 1.0 CA C:CYS209 4.2 42.3 1.0 O C:GLY192 4.3 44.1 1.0 OD1 C:ASP194 4.4 37.4 1.0 O C:VAL207 4.4 40.5 1.0 N C:GLU193 4.4 42.2 1.0 C C:GLY192 4.5 44.2 1.0 CB C:SER208 4.5 38.8 1.0 CD C:GLN210 4.6 52.9 1.0 OD2 C:ASP194 4.6 31.7 1.0 N C:CYS195 4.7 37.6 1.0 C C:ASP194 4.9 38.1 1.0 NE2 C:GLN210 4.9 53.7 1.0 N C:SER208 4.9 39.6 1.0 N C:GLN210 5.0 42.5 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