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

The structure of Crystal Structure of Masp-1 CUB2 Domain Bound to CA2+, PDB code: 3pof 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)	41.01 / 1.50
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	100.460, 100.460, 100.460, 90.00, 90.00, 90.00
R / Rfree (%)	11.7 / 14.9

The binding sites of Calcium atom in the Crystal Structure of Masp-1 CUB2 Domain Bound to CA2+ (pdb code 3pof). 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 Masp-1 CUB2 Domain Bound to CA2+, PDB code: 3pof:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of 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 Masp-1 CUB2 Domain Bound to CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:11.1 occ:1.00 OE1 A:GLU216 2.2 12.8 1.0 O A:SER265 2.3 14.2 1.0 O A:HOH7 2.4 11.4 1.0 OD1 A:ASP263 2.4 11.5 1.0 OD2 A:ASP226 2.4 9.0 1.0 O A:HOH14 2.5 11.5 1.0 OD1 A:ASP226 2.7 9.3 1.0 CG A:ASP226 2.9 7.8 1.0 CD A:GLU216 3.4 12.4 1.0 C A:SER265 3.5 15.8 1.0 CG A:ASP263 3.5 12.4 1.0 CB A:GLU216 4.1 9.7 1.0 OD2 A:ASP263 4.1 15.9 1.0 N A:ASP263 4.2 9.3 1.0 N A:SER265 4.3 16.4 1.0 O A:ASP263 4.3 11.6 1.0 OE2 A:GLU216 4.3 18.8 1.0 CG A:GLU216 4.3 11.9 1.0 CA A:GLY266 4.3 15.0 1.0 O A:HOH318 4.4 22.4 1.0 N A:GLY266 4.4 17.2 1.0 CB A:ASP226 4.4 8.3 1.0 C A:ASP263 4.5 11.2 1.0 CA A:SER265 4.5 18.3 1.0 O A:HOH49 4.5 23.5 1.0 OH A:TYR187 4.6 7.9 1.0 CE1 A:TYR187 4.6 7.6 1.0 CB A:ASP263 4.6 12.8 1.0 CA A:ASP263 4.6 11.1 1.0 CB A:TYR225 4.7 11.7 1.0 CB A:SER262 4.7 9.6 1.0 ND2 A:ASN268 4.8 8.4 1.0 C A:GLY266 4.8 13.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of 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 Masp-1 CUB2 Domain Bound to CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1 b:10.6 occ:1.00 OE1 B:GLU216 2.3 14.3 1.0 O B:SER265 2.3 13.8 1.0 OD2 B:ASP226 2.3 8.4 1.0 OD1 B:ASP263 2.4 10.7 1.0 O B:HOH8 2.4 9.5 1.0 O B:HOH4 2.4 9.4 1.0 CG B:ASP226 3.1 8.2 1.0 OD1 B:ASP226 3.1 9.2 1.0 CG B:ASP263 3.4 11.8 1.0 CD B:GLU216 3.5 14.1 1.0 C B:SER265 3.5 14.4 1.0 OD2 B:ASP263 4.0 16.1 1.0 CB B:GLU216 4.1 9.0 1.0 O B:ASP263 4.3 9.6 1.0 CA B:GLY266 4.3 14.7 1.0 N B:ASP263 4.3 8.2 1.0 N B:GLY266 4.3 16.3 1.0 O B:HOH74 4.3 17.9 1.0 CG B:GLU216 4.3 10.5 1.0 OE2 B:GLU216 4.3 21.2 1.0 N B:SER265 4.4 13.2 1.0 OH B:TYR187 4.4 8.2 1.0 CE1 B:TYR187 4.4 7.2 1.0 O B:HOH139 4.4 30.9 1.0 C B:ASP263 4.5 8.7 1.0 CA B:SER265 4.5 14.4 1.0 CB B:ASP226 4.5 7.0 1.0 CB B:SER262 4.6 9.2 1.0 ND2 B:ASN268 4.6 6.9 1.0 CB B:ASP263 4.6 12.1 1.0 CA B:ASP263 4.7 9.6 1.0 C B:GLY266 4.8 14.6 1.0 OG B:SER265 4.8 24.2 1.0 CZ B:TYR187 4.8 7.4 1.0 O B:GLY266 4.8 17.3 1.0 O B:HOH36 5.0 11.5 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