Calcium in PDB 1hup: Human Mannose Binding Protein Carbohydrate Recognition Domain Trimerizes Through A Triple Alpha-Helical Coiled-Coil

The structure of Human Mannose Binding Protein Carbohydrate Recognition Domain Trimerizes Through A Triple Alpha-Helical Coiled-Coil, PDB code: 1hup was solved by S.Sheriff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.50
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.680, 76.680, 58.580, 90.00, 90.00, 120.00
R / Rfree (%)	19.9 / n/a

The binding sites of Calcium atom in the Human Mannose Binding Protein Carbohydrate Recognition Domain Trimerizes Through A Triple Alpha-Helical Coiled-Coil (pdb code 1hup). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Human Mannose Binding Protein Carbohydrate Recognition Domain Trimerizes Through A Triple Alpha-Helical Coiled-Coil, PDB code: 1hup:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Human Mannose Binding Protein Carbohydrate Recognition Domain Trimerizes Through A Triple Alpha-Helical Coiled-Coil


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Mannose Binding Protein Carbohydrate Recognition Domain Trimerizes Through A Triple Alpha-Helical Coiled-Coil within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:28.9 occ:1.00 O A:HOH339 2.3 17.1 1.0 OD2 A:ASP168 2.4 29.0 1.0 O A:GLU200 2.4 32.1 1.0 OE2 A:GLU172 2.5 31.5 1.0 OD1 A:ASP201 2.6 36.0 1.0 OE1 A:GLU172 2.6 32.7 1.0 OD1 A:ASP168 2.7 28.2 1.0 OD1 A:ASN195 2.8 34.5 1.0 CD A:GLU172 2.9 31.9 1.0 CG A:ASP168 2.9 29.2 1.0 C A:GLU200 3.3 32.6 1.0 CG A:ASN195 3.3 32.3 1.0 CG A:ASP201 3.8 36.6 1.0 CA A:ASP201 3.8 31.6 1.0 CA A:CA303 3.9 60.2 1.0 N A:ASP201 3.9 32.4 1.0 ND2 A:ASN195 4.0 33.5 1.0 CB A:ASN195 4.0 31.6 1.0 CB A:ASP201 4.4 34.2 1.0 CG A:GLU172 4.4 32.3 1.0 N A:GLU200 4.4 35.5 1.0 CA A:GLU200 4.4 33.8 1.0 CB A:ASP168 4.4 28.8 1.0 CZ A:PHE175 4.5 29.2 1.0 O A:HOH340 4.5 38.7 1.0 N A:GLY173 4.6 35.4 1.0 OD2 A:ASP213 4.6 25.8 1.0 CA A:ASN195 4.7 30.4 1.0 O A:ASP168 4.8 32.0 1.0 OD2 A:ASP201 4.8 40.5 1.0 CB A:GLU200 4.9 31.6 1.0 CA A:GLU172 4.9 36.1 1.0 C A:ASP201 5.0 29.2 1.0 O A:HOH346 5.0 37.3 1.0 CE1 A:PHE175 5.0 31.0 1.0

Calcium binding site 2 out of 4 in the Human Mannose Binding Protein Carbohydrate Recognition Domain Trimerizes Through A Triple Alpha-Helical Coiled-Coil


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Mannose Binding Protein Carbohydrate Recognition Domain Trimerizes Through A Triple Alpha-Helical Coiled-Coil within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:22.7 occ:1.00 OE1 A:GLU200 2.4 24.9 1.0 OE1 A:GLU192 2.4 27.6 1.0 OD1 A:ASP213 2.4 25.7 1.0 O4 A:SO4304 2.4 34.3 0.5 OD1 A:ASN212 2.6 19.5 1.0 OD1 A:ASN194 2.6 31.1 1.0 O A:ASP213 2.7 25.7 1.0 O2 A:SO4304 2.8 33.9 0.5 S A:SO4304 3.2 34.6 1.0 CD A:GLU192 3.3 26.1 1.0 CD A:GLU200 3.3 29.1 1.0 CG A:ASP213 3.3 24.6 1.0 CG A:ASN194 3.4 28.9 1.0 OE2 A:GLU200 3.6 27.4 1.0 OE2 A:GLU192 3.6 25.2 1.0 C A:ASP213 3.7 24.1 1.0 N A:ASP213 3.7 21.6 1.0 CG A:ASN212 3.8 20.9 1.0 ND2 A:ASN194 3.8 30.2 1.0 OD2 A:ASP213 4.0 25.8 1.0 O3 A:SO4304 4.1 33.8 0.5 CA A:ASP213 4.1 23.1 1.0 N A:ASN194 4.1 26.9 1.0 O1 A:SO4304 4.3 34.8 0.5 CB A:ASP213 4.3 23.8 1.0 ND2 A:ASN212 4.4 21.0 1.0 N A:ASN195 4.5 29.1 1.0 CB A:ASN194 4.6 27.9 1.0 CG A:GLU192 4.6 25.3 1.0 C A:ASN212 4.6 20.9 1.0 CG A:GLU200 4.7 29.9 1.0 CA A:ASN194 4.8 27.3 1.0 N A:ALA196 4.8 33.9 1.0 N A:VAL214 4.9 24.1 1.0 CB A:ALA196 4.9 33.2 1.0 CB A:GLU200 4.9 31.6 1.0 CA A:ASN212 4.9 20.3 1.0 CB A:ASN212 4.9 21.0 1.0

Calcium binding site 3 out of 4 in the Human Mannose Binding Protein Carbohydrate Recognition Domain Trimerizes Through A Triple Alpha-Helical Coiled-Coil


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Human Mannose Binding Protein Carbohydrate Recognition Domain Trimerizes Through A Triple Alpha-Helical Coiled-Coil within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:60.2 occ:1.00 OE1 A:GLU172 2.4 32.7 1.0 OD1 A:ASP201 2.4 36.0 1.0 OD2 A:ASP201 2.8 40.5 1.0 CG A:ASP201 2.9 36.6 1.0 CD A:GLU172 3.6 31.9 1.0 CA A:CA301 3.9 28.9 1.0 O A:ASP168 4.1 32.0 1.0 CB A:GLU172 4.2 35.0 1.0 CG A:GLU172 4.4 32.3 1.0 CB A:ASP201 4.4 34.2 1.0 O A:GLU169 4.5 41.8 1.0 OE2 A:GLU172 4.6 31.5 1.0 CA A:GLU172 4.6 36.1 1.0 OD1 A:ASP168 4.7 28.2 1.0 OD1 A:ASN195 4.8 34.5 1.0 O A:SER198 4.9 44.6 1.0 CA A:GLU169 4.9 38.2 1.0 C A:ASP168 4.9 31.4 1.0 OD2 A:ASP168 5.0 29.0 1.0

Calcium binding site 4 out of 4 in the Human Mannose Binding Protein Carbohydrate Recognition Domain Trimerizes Through A Triple Alpha-Helical Coiled-Coil


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Human Mannose Binding Protein Carbohydrate Recognition Domain Trimerizes Through A Triple Alpha-Helical Coiled-Coil within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:23.8 occ:1.00 OE1 A:GLU190 2.2 23.2 1.0 OE1 A:GLN210 2.5 22.5 1.0 O A:HOH306 2.6 27.4 1.0 OD1 A:ASN189 2.7 25.3 1.0 CD A:GLU190 3.4 24.0 1.0 CD A:GLN210 3.5 25.7 1.0 CG A:ASN189 3.8 23.2 1.0 NE2 A:GLN210 3.9 23.5 1.0 OE2 A:GLU190 3.9 26.2 1.0 ND2 A:ASN208 4.3 22.6 1.0 ND2 A:ASN189 4.3 21.0 1.0 N A:GLU190 4.6 24.1 1.0 CG A:GLU190 4.6 23.3 1.0 CB A:GLU190 4.8 23.9 1.0 CG A:GLN210 4.9 24.9 1.0

S.Sheriff, C.Y.Chang, R.A.Ezekowitz. Human Mannose-Binding Protein Carbohydrate Recognition Domain Trimerizes Through A Triple Alpha-Helical Coiled-Coil. Nat.Struct.Biol. V. 1 789 1994.
ISSN: ISSN 1072-8368
PubMed: 7634089
DOI: 10.1038/NSB1194-789