Calcium in PDB 4cc1: Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain

The structure of Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain, PDB code: 4cc1 was solved by C.R.Chilakuri, D.Sheppard, M.X.G.Ilagan, L.R.Holt, F.Abbott, S.Liang, R.Kopan, P.A.Handford, S.M.Lea, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.38 / 2.84
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	55.950, 60.560, 63.030, 92.89, 104.95, 105.92
R / Rfree (%)	19.63 / 24.93

The structure of Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Calcium atom in the Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain (pdb code 4cc1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain, PDB code: 4cc1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1340 b:82.5 occ:1.00 OD1 A:ASP140 2.6 56.0 1.0 OD2 A:ASP72 2.8 90.7 1.0 O A:SER141 3.0 78.5 1.0 CG A:ASP140 3.4 60.2 1.0 OD2 A:ASP140 3.4 69.8 1.0 CG A:ASP72 3.9 83.5 1.0 OG A:SER142 4.1 99.6 1.0 N A:ASP72 4.1 69.7 1.0 O A:GLU70 4.1 84.6 1.0 C A:SER141 4.2 79.4 1.0 CB A:ASP72 4.3 69.9 1.0 CA A:CYS71 4.5 79.2 1.0 C A:CYS71 4.7 76.8 1.0 CB A:CYS55 4.7 83.6 1.0 N A:GLY56 4.8 90.5 1.0 CB A:ASP140 4.8 59.5 1.0 N A:SER141 4.8 68.1 1.0 CA A:ASP72 4.9 67.3 1.0 C A:CYS55 5.0 91.6 1.0

Calcium binding site 2 out of 2 in the Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1339 b:85.0 occ:1.00 O B:HOH2001 2.1 38.9 1.0 O B:SER141 2.6 71.7 1.0 OD2 B:ASP72 2.7 94.3 1.0 OD1 B:ASP140 2.8 62.4 1.0 C B:SER141 3.5 72.7 1.0 CG B:ASP140 3.5 64.1 1.0 OG B:SER142 3.5 90.9 1.0 OD2 B:ASP140 3.5 73.8 1.0 CG B:ASP72 3.8 86.3 1.0 CA B:SER142 4.0 79.1 1.0 N B:SER142 4.0 76.4 1.0 CB B:ASP72 4.1 68.5 1.0 CB B:SER142 4.3 82.5 1.0 N B:ASP72 4.4 67.9 1.0 N B:SER141 4.5 60.7 1.0 CA B:SER141 4.6 61.8 1.0 C B:ASP140 4.9 61.9 1.0 O B:CYS55 4.9 82.9 1.0 CB B:ASP140 4.9 55.6 1.0 CA B:ASP72 4.9 66.0 1.0 OD1 B:ASP72 4.9 88.4 1.0 O B:GLU70 5.0 85.7 1.0

C.R.Chilakuri, D.Sheppard, M.X.G.Ilagan, L.R.Holt, F.Abbott, S.Liang, R.Kopan, P.A.Handford, S.M.Lea. Structural Analysis Uncovers Lipid-Binding Properties of Notch Ligands Cell Rep. V. 5 861 2013.
ISSN: ISSN 2211-1247
PubMed: 24239355
DOI: 10.1016/J.CELREP.2013.10.029