Calcium in PDB 1rdl: Mannose-Binding Protein, Subtilisin Digest Fragment Complex with Alpha-Methyl-D-Mannopyranoside (0.2 M)

The structure of Mannose-Binding Protein, Subtilisin Digest Fragment Complex with Alpha-Methyl-D-Mannopyranoside (0.2 M), PDB code: 1rdl was solved by K.K.-S.Ng, K.Drickamer, W.I.Weis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.600, 75.400, 57.500, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 23

The structure of Mannose-Binding Protein, Subtilisin Digest Fragment Complex with Alpha-Methyl-D-Mannopyranoside (0.2 M) also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Mannose-Binding Protein, Subtilisin Digest Fragment Complex with Alpha-Methyl-D-Mannopyranoside (0.2 M) (pdb code 1rdl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Mannose-Binding Protein, Subtilisin Digest Fragment Complex with Alpha-Methyl-D-Mannopyranoside (0.2 M), PDB code: 1rdl:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Mannose-Binding Protein, Subtilisin Digest Fragment Complex with Alpha-Methyl-D-Mannopyranoside (0.2 M)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Mannose-Binding Protein, Subtilisin Digest Fragment Complex with Alpha-Methyl-D-Mannopyranoside (0.2 M) within 5.0Å range: probe atom residue distance (Å) B Occ 1:Ca227 b:12.3 occ:1.00 O 1:HOH274 2.4 11.2 1.0 OD1 1:ASN199 2.4 11.5 1.0 O 1:GLU198 2.4 11.0 1.0 OD2 1:ASP166 2.5 13.2 1.0 OE1 1:GLU170 2.5 11.9 1.0 OD1 1:ASN193 2.5 13.9 1.0 OE2 1:GLU170 2.7 13.2 1.0 OD1 1:ASP166 2.7 14.5 1.0 CG 1:ASP166 2.9 12.5 1.0 CD 1:GLU170 2.9 12.5 1.0 C 1:GLU198 3.3 12.3 1.0 CG 1:ASN193 3.4 15.8 1.0 CG 1:ASN199 3.5 11.7 1.0 CA 1:ASN199 3.7 11.0 1.0 N 1:ASN199 3.9 11.2 1.0 CB 1:ASN193 4.1 16.5 1.0 CB 1:ASN199 4.1 10.5 1.0 N 1:GLU198 4.3 11.5 1.0 ND2 1:ASN193 4.3 17.1 1.0 CB 1:ASP166 4.4 11.7 1.0 CA 1:GLU198 4.4 12.5 1.0 CG 1:GLU170 4.5 15.5 1.0 O 1:HOH273 4.5 21.0 1.0 OD2 1:ASP211 4.6 12.9 1.0 ND2 1:ASN199 4.6 14.3 1.0 CZ 1:PHE173 4.6 18.4 1.0 CA 1:ASN193 4.7 17.3 1.0 O 1:ASP166 4.8 14.1 1.0 N 1:ASN171 4.8 14.0 1.0 C 1:ASN199 4.9 10.4 1.0

Calcium binding site 2 out of 4 in the Mannose-Binding Protein, Subtilisin Digest Fragment Complex with Alpha-Methyl-D-Mannopyranoside (0.2 M)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Mannose-Binding Protein, Subtilisin Digest Fragment Complex with Alpha-Methyl-D-Mannopyranoside (0.2 M) within 5.0Å range: probe atom residue distance (Å) B Occ 1:Ca2 b:13.5 occ:1.00 OD1 1:ASP211 2.4 11.0 1.0 OE1 1:GLU198 2.4 11.7 1.0 OD1 1:ASN192 2.4 16.0 1.0 OD1 1:ASN210 2.5 13.2 1.0 O3 1:MMA1 2.5 16.9 1.0 OE1 1:GLU190 2.6 15.7 1.0 O4 1:MMA1 2.6 16.7 1.0 O 1:ASP211 2.6 12.5 1.0 CG 1:ASP211 3.3 12.5 1.0 CD 1:GLU198 3.4 10.7 1.0 C3 1:MMA1 3.4 20.8 1.0 C4 1:MMA1 3.4 19.6 1.0 CD 1:GLU190 3.4 19.6 1.0 CG 1:ASN192 3.4 18.6 1.0 CG 1:ASN210 3.5 17.2 1.0 C 1:ASP211 3.6 9.6 1.0 OE2 1:GLU190 3.7 17.2 1.0 OE2 1:GLU198 3.7 12.7 1.0 N 1:ASP211 3.7 11.6 1.0 ND2 1:ASN192 3.9 18.3 1.0 ND2 1:ASN210 3.9 14.3 1.0 OD2 1:ASP211 4.1 12.9 1.0 CA 1:ASP211 4.1 11.4 1.0 N 1:ASN192 4.2 15.0 1.0 CB 1:ASP211 4.3 9.0 1.0 CG2 1:VAL194 4.4 21.3 1.0 N 1:ASN193 4.6 16.6 1.0 CG 1:GLU198 4.6 13.3 1.0 CB 1:ASN192 4.6 17.6 1.0 C 1:ASN210 4.6 10.7 1.0 CG 1:GLU190 4.7 16.7 1.0 C2 1:MMA1 4.8 21.3 1.0 N 1:VAL212 4.8 8.7 1.0 C5 1:MMA1 4.8 24.5 1.0 CB 1:ASN210 4.8 14.8 1.0 CB 1:GLU198 4.8 11.2 1.0 CA 1:ASN192 4.8 15.6 1.0 CA 1:ASN210 4.9 13.7 1.0

Calcium binding site 3 out of 4 in the Mannose-Binding Protein, Subtilisin Digest Fragment Complex with Alpha-Methyl-D-Mannopyranoside (0.2 M)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Mannose-Binding Protein, Subtilisin Digest Fragment Complex with Alpha-Methyl-D-Mannopyranoside (0.2 M) within 5.0Å range: probe atom residue distance (Å) B Occ 2:Ca227 b:14.9 occ:1.00 OD1 2:ASN199 2.4 17.5 1.0 O 2:HOH232 2.4 14.5 1.0 OD2 2:ASP166 2.4 11.8 1.0 O 2:GLU198 2.4 9.4 1.0 OE1 2:GLU170 2.5 12.5 1.0 OD1 2:ASN193 2.5 14.1 1.0 OE2 2:GLU170 2.5 15.5 1.0 OD1 2:ASP166 2.7 14.9 1.0 CD 2:GLU170 2.8 13.0 1.0 CG 2:ASP166 2.9 12.1 1.0 C 2:GLU198 3.3 10.8 1.0 CG 2:ASN193 3.3 16.4 1.0 CG 2:ASN199 3.5 13.3 1.0 CA 2:ASN199 3.7 11.1 1.0 N 2:ASN199 3.9 10.3 1.0 CB 2:ASN193 4.1 14.4 1.0 CB 2:ASN199 4.1 13.5 1.0 ND2 2:ASN193 4.2 17.5 1.0 N 2:GLU198 4.3 16.8 1.0 CG 2:GLU170 4.3 16.3 1.0 O 2:HOH231 4.4 16.4 1.0 O 2:HOH235 4.4 14.6 1.0 CB 2:ASP166 4.4 13.5 1.0 CA 2:GLU198 4.5 13.6 1.0 O 2:HOH233 4.5 33.1 1.0 OD2 2:ASP211 4.5 11.4 1.0 ND2 2:ASN199 4.6 20.9 1.0 CA 2:ASN193 4.7 17.1 1.0 O 2:ASP166 4.8 17.3 1.0 N 2:ASN171 4.8 16.1 1.0 CZ 2:PHE173 4.9 19.2 1.0 C 2:ASN199 4.9 10.5 1.0 CA 2:GLU170 5.0 17.0 1.0

Calcium binding site 4 out of 4 in the Mannose-Binding Protein, Subtilisin Digest Fragment Complex with Alpha-Methyl-D-Mannopyranoside (0.2 M)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Mannose-Binding Protein, Subtilisin Digest Fragment Complex with Alpha-Methyl-D-Mannopyranoside (0.2 M) within 5.0Å range: probe atom residue distance (Å) B Occ 2:Ca2 b:13.4 occ:1.00 OD1 2:ASP211 2.3 11.2 1.0 OD1 2:ASN192 2.4 12.1 1.0 OD1 2:ASN210 2.4 10.7 1.0 OE1 2:GLU198 2.4 14.7 1.0 O 2:ASP211 2.6 11.2 1.0 O4 2:MMA1 2.6 13.8 1.0 O3 2:MMA1 2.6 13.2 1.0 OE1 2:GLU190 2.6 14.7 1.0 CG 2:ASP211 3.3 12.7 1.0 CD 2:GLU198 3.4 13.5 1.0 C3 2:MMA1 3.4 16.2 1.0 C4 2:MMA1 3.4 14.9 1.0 CG 2:ASN192 3.4 13.8 1.0 CD 2:GLU190 3.4 16.2 1.0 CG 2:ASN210 3.5 13.2 1.0 C 2:ASP211 3.6 9.9 1.0 OE2 2:GLU198 3.7 14.4 1.0 OE2 2:GLU190 3.7 16.1 1.0 N 2:ASP211 3.8 10.6 1.0 ND2 2:ASN192 3.9 16.0 1.0 ND2 2:ASN210 3.9 14.1 1.0 OD2 2:ASP211 4.0 11.4 1.0 CA 2:ASP211 4.1 10.7 1.0 N 2:ASN192 4.3 15.6 1.0 CB 2:ASP211 4.3 10.9 1.0 CG1 2:VAL194 4.5 25.9 1.0 CG 2:GLU198 4.6 14.3 1.0 C 2:ASN210 4.6 9.7 1.0 CB 2:ASN192 4.7 15.8 1.0 CG 2:GLU190 4.7 14.2 1.0 N 2:ASN193 4.7 15.8 1.0 CB 2:GLU198 4.8 12.8 1.0 N 2:VAL212 4.8 9.0 1.0 CB 2:ASN210 4.8 11.6 1.0 C5 2:MMA1 4.8 20.4 1.0 C2 2:MMA1 4.8 17.2 1.0 CA 2:ASN192 4.8 15.2 1.0 CA 2:ASN210 4.9 11.7 1.0

K.K.Ng, K.Drickamer, W.I.Weis. Structural Analysis of Monosaccharide Recognition By Rat Liver Mannose-Binding Protein. J.Biol.Chem. V. 271 663 1996.
ISSN: ISSN 0021-9258
PubMed: 8557671
DOI: 10.1074/JBC.271.2.663