Calcium in PDB 3poe: Crystal Structure of the Masp-1 CUB2 Domain Bound to CA2+

The structure of Crystal Structure of the Masp-1 CUB2 Domain Bound to CA2+, PDB code: 3poe was solved by A.R.Gingras, P.C.E.Moody, R.Wallis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.67 / 1.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	36.670, 36.670, 168.600, 90.00, 90.00, 90.00
R / Rfree (%)	13.3 / 17.7

The binding sites of Calcium atom in the Crystal Structure of the Masp-1 CUB2 Domain Bound to CA2+ (pdb code 3poe). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Masp-1 CUB2 Domain Bound to CA2+, PDB code: 3poe:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Masp-1 CUB2 Domain Bound to CA2+


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Masp-1 CUB2 Domain Bound to CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:12.6 occ:1.00 OE1 A:GLU216 2.3 15.1 1.0 OD1 A:ASP263 2.3 13.6 1.0 OD2 A:ASP226 2.4 12.7 1.0 O A:SER265 2.4 18.5 1.0 O A:HOH38 2.4 12.0 1.0 O A:HOH279 2.5 14.6 1.0 OD1 A:ASP226 2.8 10.9 1.0 CG A:ASP226 2.9 11.1 1.0 CD A:GLU216 3.4 14.4 1.0 CG A:ASP263 3.4 12.6 1.0 C A:SER265 3.5 21.3 1.0 O A:HOH122 4.0 19.0 1.0 CB A:GLU216 4.0 12.5 1.0 N A:ASP263 4.1 10.8 1.0 OD2 A:ASP263 4.1 13.4 1.0 O A:HOH138 4.1 36.3 1.0 OE2 A:GLU216 4.1 27.2 1.0 N A:SER265 4.2 20.2 1.0 CG A:GLU216 4.3 13.7 1.0 CB A:ASP226 4.4 11.5 1.0 O A:ASP263 4.4 12.9 1.0 CA A:SER265 4.4 23.6 1.0 C A:ASP263 4.4 11.7 1.0 OH A:TYR187 4.5 10.8 1.0 N A:GLY266 4.5 20.2 1.0 CA A:ASP263 4.5 12.4 1.0 CB A:ASP263 4.6 11.9 1.0 CA A:GLY266 4.6 19.4 1.0 CE1 A:TYR187 4.7 11.7 1.0 OG A:SER265 4.7 33.3 1.0 CB A:SER262 4.8 10.9 1.0 ND2 A:ASN268 4.8 12.4 1.0 N A:ASN264 5.0 13.4 1.0 C A:GLY266 5.0 19.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Masp-1 CUB2 Domain Bound to CA2+


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Masp-1 CUB2 Domain Bound to CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2 b:17.6 occ:1.00 O A:SER190 2.3 15.7 1.0 O A:HOH120 2.4 21.5 1.0 O A:HOH118 2.4 21.6 1.0 O A:HOH119 2.4 20.9 1.0 OG A:SER190 2.4 16.6 1.0 OE2 A:GLU192 2.4 17.2 1.0 OE1 A:GLU192 2.4 17.2 1.0 O A:HOH62 2.5 25.2 1.0 CD A:GLU192 2.8 14.4 1.0 CB A:SER190 3.4 15.0 1.0 C A:SER190 3.4 12.2 1.0 CA A:SER190 3.9 12.4 1.0 O A:HOH9 4.3 34.3 1.0 O A:HOH73 4.3 25.8 1.0 CG A:GLU192 4.3 14.2 1.0 O A:HOH58 4.4 16.6 1.0 O A:HOH124 4.5 19.0 1.0 N A:SER191 4.5 11.2 1.0 N A:GLU192 4.8 10.8 1.0 CA A:SER191 4.8 11.0 1.0 C A:SER191 4.9 11.2 1.0 O A:HOH111 4.9 50.0 1.0

A.R.Gingras, U.V.Girija, A.H.Keeble, R.Panchal, D.A.Mitchell, P.C.Moody, R.Wallis. Structural Basis of Mannan-Binding Lectin Recognition By Its Associated Serine Protease Masp-1: Implications For Complement Activation. Structure V. 19 1635 2011.
ISSN: ISSN 0969-2126
PubMed: 22078562
DOI: 10.1016/J.STR.2011.08.014