Calcium in PDB 7bag: C3B in Complex with CP40

The structure of C3B in Complex with CP40, PDB code: 7bag was solved by C.Lamers, X.Xue, M.Smiesko, H.Van Son, B.Wagner, G.Sfyroera, P.Gros, J.Lambris, D.Ricklin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.82 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	101.508, 90.528, 140.093, 90, 108.84, 90
R / Rfree (%)	19.4 / 22.5

The binding sites of Calcium atom in the C3B in Complex with CP40 (pdb code 7bag). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the C3B in Complex with CP40, PDB code: 7bag:

Calcium binding site 1 out of 1 in the C3B in Complex with CP40


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of C3B in Complex with CP40 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:49.9 occ:1.00 O A:VAL533 2.3 36.6 1.0 O A:PRO505 2.4 34.0 1.0 OD1 A:ASP535 2.4 37.7 1.0 OD1 A:ASP532 2.4 41.2 1.0 O A:HOH969 2.4 45.9 1.0 O A:HOH1084 2.4 46.8 1.0 C A:PRO505 3.4 35.8 1.0 CG A:ASP535 3.4 51.1 1.0 CG A:ASP532 3.5 49.6 1.0 C A:VAL533 3.5 40.5 1.0 CB A:PRO505 3.7 35.8 1.0 CA A:PRO505 3.8 35.3 1.0 O A:HOH894 3.8 44.4 1.0 N A:VAL533 3.9 35.9 1.0 OD2 A:ASP532 3.9 43.0 1.0 OD2 A:ASP535 4.0 50.1 1.0 N A:ASP535 4.0 43.6 1.0 CA A:VAL533 4.3 38.6 1.0 C A:LYS534 4.3 41.5 1.0 O A:HOH1073 4.3 43.5 1.0 N A:LYS534 4.5 40.9 1.0 CB A:ASP535 4.5 43.6 1.0 CA A:ASP535 4.5 37.7 1.0 CA A:LYS534 4.5 49.4 1.0 N A:SER506 4.5 33.5 1.0 OE2 A:GLU599 4.7 41.0 1.0 CB A:ASP532 4.7 41.1 1.0 O A:HOH1183 4.8 60.6 1.0 C A:ASP532 4.8 40.9 1.0 CB A:SER506 4.9 35.2 1.0 CA A:ASP532 4.9 36.5 1.0 CB A:VAL533 4.9 39.1 1.0 O A:LYS534 4.9 44.5 1.0

C.Lamers, X.Xue, M.Smiesko, H.Van Son, B.Wagner, G.Sfyroera, P.Gros, J.Lambris, D.Ricklin. Novel Insights Into the Picomolar Complement Inhibitor Compstatin (CP40): Structural Determinants of Key Interactions with C3B and Elucidation of Molecular Mode-of-Action To Be Published.