Chlorine in PDB 1kmb: Selectin-Like Mutant of Mannose-Binding Protein A

The structure of Selectin-Like Mutant of Mannose-Binding Protein A, PDB code: 1kmb was solved by K.K.-S.Ng, W.I.Weis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	79.700, 84.900, 98.700, 90.00, 105.30, 90.00
R / Rfree (%)	20.2 / 26.5

The structure of Selectin-Like Mutant of Mannose-Binding Protein A also contains other interesting chemical elements:

Calcium

(Ca)

9 atoms

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

Chlorine binding site 1 out of 3 in the Selectin-Like Mutant of Mannose-Binding Protein A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Selectin-Like Mutant of Mannose-Binding Protein A within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl4 b:16.2 occ:1.00 O 1:HOH367 3.2 9.8 1.0 N 1:ASP194 3.2 10.5 1.0 N 1:CYS209 3.3 15.7 1.0 O 1:HOH368 3.3 32.4 1.0 CB 1:ASP194 3.7 12.4 1.0 SG 1:CYS209 3.7 16.4 1.0 CA 1:SER208 3.7 14.4 1.0 CB 1:CYS209 3.9 16.8 1.0 CA 1:ASP194 4.0 13.4 1.0 C 1:SER208 4.0 14.3 1.0 CA 1:GLU193 4.1 15.5 1.0 C 1:GLU193 4.1 11.5 1.0 O 1:HOH369 4.1 26.8 1.0 CG 1:ASP194 4.2 12.7 1.0 CA 1:CYS209 4.2 14.3 1.0 O 1:GLY192 4.2 16.8 1.0 O 1:ILE207 4.3 15.4 1.0 OG 1:SER208 4.4 15.3 1.0 OD2 1:ASP194 4.5 11.8 1.0 N 1:GLU193 4.5 16.0 1.0 CB 1:SER208 4.5 13.2 1.0 C 1:GLY192 4.5 16.7 1.0 NE2 1:GLN210 4.6 47.5 1.0 N 1:CYS195 4.6 11.2 1.0 C 1:ASP194 4.7 12.5 1.0 N 1:SER208 4.7 13.6 1.0 O 1:HOH370 4.7 40.5 1.0 OD1 1:ASP194 4.8 16.7 1.0 C 1:ILE207 4.9 15.4 1.0

Chlorine binding site 2 out of 3 in the Selectin-Like Mutant of Mannose-Binding Protein A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Selectin-Like Mutant of Mannose-Binding Protein A within 5.0Å range: probe atom residue distance (Å) B Occ 2:Cl4 b:38.5 occ:1.00 N 2:ASP194 2.9 28.3 1.0 N 2:CYS209 3.4 28.9 1.0 CB 2:ASP194 3.5 29.1 1.0 CA 2:SER208 3.6 28.4 1.0 CA 2:ASP194 3.7 27.5 1.0 CA 2:GLU193 3.8 31.4 1.0 C 2:GLU193 3.8 29.9 1.0 OD2 2:ASP194 3.9 37.7 1.0 CG 2:ASP194 3.9 34.7 1.0 SG 2:CYS209 4.0 28.7 1.0 C 2:SER208 4.0 28.8 1.0 O 2:GLY192 4.1 36.9 1.0 N 2:GLU193 4.1 35.7 1.0 OG 2:SER208 4.2 26.4 1.0 C 2:GLY192 4.2 36.5 1.0 CB 2:CYS209 4.3 29.5 1.0 O 2:ILE207 4.4 29.0 1.0 CB 2:SER208 4.4 30.0 1.0 N 2:CYS195 4.4 25.6 1.0 CA 2:CYS209 4.5 30.3 1.0 OE1 2:GLN210 4.5 66.7 1.0 C 2:ASP194 4.5 26.0 1.0 N 2:SER208 4.6 27.7 1.0 OD1 2:ASP194 4.8 34.5 1.0 C 2:ILE207 4.8 30.6 1.0 O 2:HOH259 5.0 43.1 1.0 O 2:GLU193 5.0 28.6 1.0

Chlorine binding site 3 out of 3 in the Selectin-Like Mutant of Mannose-Binding Protein A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Selectin-Like Mutant of Mannose-Binding Protein A within 5.0Å range: probe atom residue distance (Å) B Occ 3:Cl4 b:23.9 occ:1.00 O 3:HOH352 2.9 16.5 1.0 N 3:ASP194 3.2 12.2 1.0 N 3:CYS209 3.3 19.5 1.0 CB 3:ASP194 3.7 10.9 1.0 CA 3:SER208 3.8 18.6 1.0 SG 3:CYS209 3.9 18.6 1.0 CB 3:CYS209 4.0 21.1 1.0 CA 3:ASP194 4.0 13.6 1.0 O 3:GLY192 4.1 17.3 1.0 C 3:SER208 4.1 20.2 1.0 CA 3:GLU193 4.1 13.8 1.0 C 3:GLU193 4.1 11.5 1.0 CG 3:ASP194 4.1 11.6 1.0 CA 3:CYS209 4.3 18.8 1.0 OG 3:SER208 4.3 20.6 1.0 O 3:ILE207 4.3 16.6 1.0 OE1 3:GLN210 4.3 41.9 1.0 C 3:GLY192 4.4 17.5 1.0 N 3:GLU193 4.4 14.9 1.0 CB 3:SER208 4.5 18.7 1.0 OD2 3:ASP194 4.5 12.8 1.0 O 3:HOH351 4.6 40.1 1.0 N 3:CYS195 4.7 16.8 1.0 OD1 3:ASP194 4.7 15.1 1.0 C 3:ASP194 4.7 13.7 1.0 N 3:SER208 4.8 17.6 1.0 C 3:ILE207 4.9 17.4 1.0

K.K.Ng, W.I.Weis. Structure of A Selectin-Like Mutant of Mannose-Binding Protein Complexed with Sialylated and Sulfated Lewis(X) Oligosaccharides. Biochemistry V. 36 979 1997.
ISSN: ISSN 0006-2960
PubMed: 9033386
DOI: 10.1021/BI962564E