Calcium in PDB 3pog: 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: 3pog 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)	38.98 / 2.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.680, 64.690, 52.420, 90.00, 92.33, 90.00
R / Rfree (%)	23.3 / 28.6

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

Calcium binding site 1 out of 3 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:40.0 occ:1.00 OD2 A:ASP226 2.0 40.0 1.0 O A:SER265 2.1 40.0 1.0 OD1 A:ASP263 2.2 40.0 1.0 OE1 A:GLU216 2.6 40.0 1.0 O A:HOH2 2.6 40.0 1.0 O A:HOH278 2.7 40.0 1.0 CG A:ASP226 2.8 40.0 1.0 OD1 A:ASP226 2.9 40.0 1.0 C A:SER265 3.3 40.0 1.0 CG A:ASP263 3.4 40.0 1.0 CD A:GLU216 3.8 40.0 1.0 OD2 A:ASP263 3.9 40.0 1.0 CA A:GLY266 3.9 40.0 1.0 NZ B:LYS189 4.0 40.0 1.0 N A:GLY266 4.0 40.0 1.0 N A:ASP263 4.1 40.0 1.0 N A:SER265 4.2 40.0 1.0 CB A:ASP226 4.2 40.0 1.0 CB A:GLU216 4.3 40.0 1.0 CA A:SER265 4.3 40.0 1.0 O A:ASP263 4.3 40.0 1.0 C A:ASP263 4.4 40.0 1.0 CE1 A:TYR187 4.5 40.0 1.0 CB A:ASP263 4.6 40.0 1.0 OH A:TYR187 4.6 40.0 1.0 CB A:SER262 4.6 40.0 1.0 OE2 A:GLU216 4.6 40.0 1.0 CA A:ASP263 4.6 40.0 1.0 CG A:GLU216 4.7 40.0 1.0 OG A:SER265 4.9 40.0 1.0 C A:GLY266 4.9 40.0 1.0 CB A:TYR225 4.9 40.0 1.0 N A:ASN264 4.9 40.0 1.0 C A:SER262 5.0 40.0 1.0 CA A:SER262 5.0 40.0 1.0

Calcium binding site 2 out of 3 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 B:Ca1 b:40.0 occ:1.00 O B:SER265 2.0 40.0 1.0 OD1 B:ASP263 2.2 40.0 1.0 OD2 B:ASP226 2.4 40.0 1.0 OE1 B:GLU216 2.5 40.0 1.0 OD1 B:ASP226 2.9 40.0 1.0 CG B:ASP226 3.0 40.0 1.0 C B:SER265 3.2 40.0 1.0 CG B:ASP263 3.4 40.0 1.0 CD B:GLU216 3.7 40.0 1.0 CA B:GLY266 3.9 40.0 1.0 N B:ASP263 3.9 40.0 1.0 N B:GLY266 4.0 40.0 1.0 OD2 B:ASP263 4.0 40.0 1.0 CB B:GLU216 4.1 40.0 1.0 N B:SER265 4.2 40.0 1.0 CE1 B:TYR187 4.3 40.0 1.0 CA B:SER265 4.3 40.0 1.0 CG B:GLU216 4.5 40.0 1.0 C B:ASP263 4.5 40.0 1.0 CB B:ASP263 4.5 40.0 1.0 CA B:ASP263 4.5 40.0 1.0 CB B:ASP226 4.5 40.0 1.0 O B:ASP263 4.5 40.0 1.0 OH B:TYR187 4.6 40.0 1.0 OE2 B:GLU216 4.6 40.0 1.0 C B:GLY266 4.6 40.0 1.0 NZ C:LYS189 4.6 40.0 1.0 O B:GLY266 4.6 40.0 1.0 ND2 B:ASN268 4.7 40.0 1.0 CB B:SER262 4.9 40.0 1.0 CZ B:TYR187 4.9 40.0 1.0 C B:SER262 4.9 40.0 1.0 OG B:SER265 4.9 40.0 1.0 CB B:TYR225 5.0 40.0 1.0

Calcium binding site 3 out of 3 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 3 of Crystal Structure of the Masp-1 CUB2 Domain Bound to CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1 b:40.0 occ:1.00 OD1 C:ASP263 2.0 40.0 1.0 OD2 C:ASP226 2.0 40.0 1.0 O C:SER265 2.5 40.0 1.0 OE1 C:GLU216 2.7 40.0 1.0 CG C:ASP226 2.7 40.0 1.0 OD1 C:ASP226 2.8 40.0 1.0 CG C:ASP263 3.2 40.0 1.0 C C:SER265 3.4 40.0 1.0 N C:ASP263 3.8 40.0 1.0 OD2 C:ASP263 3.9 40.0 1.0 CD C:GLU216 3.9 40.0 1.0 CA C:GLY266 4.1 40.0 1.0 N C:GLY266 4.1 40.0 1.0 N C:SER265 4.2 40.0 1.0 CB C:ASP226 4.2 40.0 1.0 ND2 C:ASN268 4.2 40.0 1.0 C C:ASP263 4.3 40.0 1.0 O C:ASP263 4.3 40.0 1.0 NZ A:LYS189 4.3 40.0 1.0 CA C:ASP263 4.3 40.0 1.0 CB C:GLU216 4.3 40.0 1.0 CB C:ASP263 4.3 40.0 1.0 CE1 C:TYR187 4.4 40.0 1.0 CA C:SER265 4.5 40.0 1.0 OH C:TYR187 4.5 40.0 1.0 C C:SER262 4.6 40.0 1.0 CB C:SER262 4.7 40.0 1.0 CA C:SER262 4.7 40.0 1.0 N C:ASN264 4.7 40.0 1.0 OE2 C:GLU216 4.7 40.0 1.0 CG C:GLU216 4.7 40.0 1.0 CB C:TYR225 4.8 40.0 1.0 CZ C:TYR187 4.9 40.0 1.0 C C:GLY266 5.0 40.0 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