Chlorine in PDB 4kmb: Complex of 4'-Sulfo-Lewis-X with A Selectin-Like Mutant of Mannose-Binding Protein A

The structure of Complex of 4'-Sulfo-Lewis-X with A Selectin-Like Mutant of Mannose-Binding Protein A, PDB code: 4kmb 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 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	79.100, 85.000, 97.500, 90.00, 106.30, 90.00
R / Rfree (%)	20.8 / 27.2

The structure of Complex of 4'-Sulfo-Lewis-X with A Selectin-Like Mutant of Mannose-Binding Protein A also contains other interesting chemical elements:

Calcium	(Ca)	11 atoms
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Complex of 4'-Sulfo-Lewis-X with A Selectin-Like Mutant of Mannose-Binding Protein A (pdb code 4kmb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Complex of 4'-Sulfo-Lewis-X with A Selectin-Like Mutant of Mannose-Binding Protein A, PDB code: 4kmb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Complex of 4'-Sulfo-Lewis-X with A 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 Complex of 4'-Sulfo-Lewis-X with A Selectin-Like Mutant of Mannose-Binding Protein A within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl6 b:14.9 occ:1.00 O 1:HOH288 3.1 31.9 1.0 O 1:HOH273 3.2 7.9 1.0 N 1:ASP194 3.2 12.1 1.0 N 1:CYS209 3.3 11.8 1.0 CA 1:SER208 3.6 12.2 1.0 CB 1:ASP194 3.8 6.2 1.0 O 1:HOH275 3.8 22.5 1.0 SG 1:CYS209 3.9 12.3 1.0 C 1:SER208 4.0 12.9 1.0 CA 1:ASP194 4.0 9.8 1.0 CA 1:GLU193 4.0 10.7 1.0 C 1:GLU193 4.1 9.6 1.0 O 1:GLY192 4.1 8.8 1.0 CB 1:CYS209 4.2 11.6 1.0 OG 1:SER208 4.2 10.1 1.0 O 1:ILE207 4.3 7.9 1.0 CG 1:ASP194 4.3 7.6 1.0 CB 1:SER208 4.3 12.1 1.0 CA 1:CYS209 4.4 11.8 1.0 N 1:GLU193 4.4 9.4 1.0 C 1:GLY192 4.5 11.2 1.0 NE2 1:GLN210 4.5 43.7 1.0 N 1:CYS195 4.6 7.1 1.0 OD2 1:ASP194 4.6 8.9 1.0 O 1:HOH274 4.6 36.1 1.0 N 1:SER208 4.6 9.7 1.0 C 1:ASP194 4.7 7.8 1.0 O 1:HOH287 4.8 25.6 1.0 C 1:ILE207 4.8 8.9 1.0 OD1 1:ASP194 4.9 9.1 1.0

Chlorine binding site 2 out of 3 in the Complex of 4'-Sulfo-Lewis-X with A 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 Complex of 4'-Sulfo-Lewis-X with A Selectin-Like Mutant of Mannose-Binding Protein A within 5.0Å range: probe atom residue distance (Å) B Occ 2:Cl4 b:30.3 occ:1.00 N 2:ASP194 3.2 22.5 1.0 N 2:CYS209 3.4 26.9 1.0 O 2:HOH337 3.5 47.0 1.0 CB 2:ASP194 3.6 22.3 1.0 SG 2:CYS209 3.8 23.3 1.0 CA 2:SER208 3.8 25.4 1.0 O 2:GLY192 3.9 32.9 1.0 CA 2:ASP194 3.9 20.6 1.0 CG 2:ASP194 4.0 26.1 1.0 OG 2:SER208 4.0 28.6 1.0 CB 2:CYS209 4.1 23.9 1.0 C 2:SER208 4.1 24.4 1.0 C 2:GLU193 4.1 24.1 1.0 CA 2:GLU193 4.1 25.3 1.0 OD2 2:ASP194 4.3 26.0 1.0 O 2:ILE207 4.3 25.4 1.0 CA 2:CYS209 4.4 27.2 1.0 C 2:GLY192 4.4 31.8 1.0 CB 2:SER208 4.5 25.7 1.0 N 2:CYS195 4.6 19.4 1.0 N 2:GLU193 4.6 29.3 1.0 NE2 2:GLN210 4.6 53.7 1.0 OD1 2:ASP194 4.7 30.3 1.0 C 2:ASP194 4.7 20.0 1.0 N 2:SER208 4.8 24.6 1.0 C 2:ILE207 4.9 26.2 1.0

Chlorine binding site 3 out of 3 in the Complex of 4'-Sulfo-Lewis-X with A 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 Complex of 4'-Sulfo-Lewis-X with A Selectin-Like Mutant of Mannose-Binding Protein A within 5.0Å range: probe atom residue distance (Å) B Occ 3:Cl4 b:20.1 occ:1.00 N 3:ASP194 3.3 11.3 1.0 O 3:HOH271 3.3 16.1 1.0 N 3:CYS209 3.3 17.4 1.0 O 3:HOH274 3.4 23.5 1.0 CA 3:SER208 3.7 13.7 1.0 CB 3:ASP194 3.7 11.7 1.0 SG 3:CYS209 3.8 15.9 1.0 CA 3:GLU193 4.0 10.1 1.0 OE1 3:GLN210 4.0 39.1 1.0 O 3:GLY192 4.0 14.9 1.0 C 3:SER208 4.0 17.6 1.0 CA 3:ASP194 4.0 10.8 1.0 C 3:GLU193 4.1 11.7 1.0 CB 3:CYS209 4.1 17.1 1.0 CG 3:ASP194 4.1 12.5 1.0 OG 3:SER208 4.3 16.0 1.0 C 3:GLY192 4.3 12.9 1.0 N 3:GLU193 4.3 11.7 1.0 OD2 3:ASP194 4.3 15.7 1.0 CA 3:CYS209 4.3 17.3 1.0 O 3:ILE207 4.3 13.7 1.0 CB 3:SER208 4.4 9.2 1.0 O2 3:G4S223 4.7 29.4 1.0 N 3:CYS195 4.7 10.6 1.0 N 3:SER208 4.7 10.2 1.0 OD1 3:ASP194 4.8 11.8 1.0 C 3:ASP194 4.8 10.6 1.0 C 3:ILE207 4.9 13.3 1.0 CD 3:GLN210 5.0 35.7 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