Chlorine 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:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain, PDB code: 4cc1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl1341 b:18.0 occ:1.00 N A:ASN230 3.5 54.6 1.0 CB A:ASN230 3.7 55.1 1.0 N A:GLU228 3.8 60.3 1.0 CA A:ASN230 4.0 54.0 1.0 CA A:GLY226 4.1 58.4 1.0 N A:PRO227 4.1 61.3 1.0 N A:CYS229 4.1 59.7 1.0 C A:GLY226 4.1 65.8 1.0 CD A:PRO227 4.1 62.0 1.0 O A:MET225 4.2 62.5 1.0 CG A:PRO227 4.3 65.5 1.0 N A:ARG231 4.3 53.3 1.0 C A:ASN230 4.3 56.8 1.0 CA A:GLU228 4.4 59.0 1.0 CB A:GLU228 4.4 59.3 1.0 C A:GLU228 4.4 62.8 1.0 C A:CYS229 4.6 60.0 1.0 CG A:ARG231 4.7 73.3 1.0 O A:GLY226 4.8 67.0 1.0 CA A:CYS229 4.8 59.5 1.0 C A:PRO227 4.8 63.6 1.0 CA A:PRO227 4.9 59.8 1.0 CB A:ARG231 5.0 57.4 1.0 NE A:ARG231 5.0 99.2 1.0

Chlorine binding site 2 out of 6 in the Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 A:Cl1342 b:42.4 occ:1.00 OG A:SER41 3.1 68.5 1.0 O A:HIS178 3.7 57.2 1.0 C A:HIS178 3.8 57.9 1.0 CB A:HIS178 3.8 62.5 1.0 N A:PHE179 3.8 51.3 1.0 CA A:PHE179 3.9 49.7 1.0 C A:PHE179 4.1 51.4 1.0 O A:SER41 4.1 49.0 1.0 CB A:GLN43 4.2 50.6 1.0 N A:GLU180 4.2 45.2 1.0 N A:GLN43 4.3 48.4 1.0 CB A:SER41 4.3 55.1 1.0 CG A:GLU180 4.3 66.9 1.0 C A:SER41 4.3 50.0 1.0 C A:MET42 4.4 48.9 1.0 N A:MET42 4.4 45.9 1.0 CA A:MET42 4.5 44.4 1.0 CA A:HIS178 4.5 60.6 1.0 O A:PHE179 4.6 51.3 1.0 OE2 A:GLU180 4.6 0.1 1.0 CB A:GLU180 4.8 44.7 1.0 CA A:GLN43 4.9 49.0 1.0 O A:MET42 5.0 47.0 1.0 CG A:HIS178 5.0 66.6 1.0 CA A:SER41 5.0 47.9 1.0

Chlorine binding site 3 out of 6 in the Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1343 b:51.0 occ:1.00 O A:SER158 3.7 58.0 1.0 N A:SER158 3.7 53.4 1.0 CB A:HIS157 3.8 45.4 1.0 CA A:HIS157 3.8 45.2 1.0 C A:HIS157 4.3 54.1 1.0 C A:SER158 4.5 58.0 1.0 CA A:SER158 4.6 53.1 1.0 CB A:SER158 4.8 55.7 1.0 CG A:HIS157 4.9 48.5 1.0 O A:SER156 5.0 52.4 1.0

Chlorine binding site 4 out of 6 in the Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1344 b:49.9 occ:1.00 NH2 A:ARG203 3.1 87.2 1.0 CE B:MET160 3.5 50.4 1.0 CE2 A:PHE207 3.5 58.2 1.0 CD2 A:PHE207 3.8 54.7 1.0 CZ A:ARG203 4.0 94.7 1.0 NH1 A:ARG203 4.1 84.2 1.0 SD B:MET160 4.5 54.0 1.0 CZ A:PHE207 4.8 56.2 1.0

Chlorine binding site 5 out of 6 in the Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1340 b:55.3 occ:1.00 N B:GLU228 3.4 75.0 1.0 CB B:ASN230 3.4 67.2 1.0 N B:PRO227 3.8 74.5 1.0 N B:ASN230 3.8 64.0 1.0 CD B:PRO227 3.9 76.2 1.0 C B:GLY226 3.9 77.6 1.0 CG B:PRO227 3.9 80.2 1.0 CA B:GLY226 3.9 71.3 1.0 CA B:GLU228 4.0 74.9 1.0 CB B:GLU228 4.1 76.7 1.0 N B:CYS229 4.1 69.6 1.0 O B:MET225 4.2 70.3 1.0 CA B:ASN230 4.2 64.0 1.0 C B:GLU228 4.3 75.1 1.0 ND2 B:ASN230 4.3 86.4 1.0 C B:PRO227 4.4 77.3 1.0 CG B:ASN230 4.4 96.7 1.0 N B:ARG231 4.5 60.4 1.0 O B:GLY226 4.5 77.3 1.0 CA B:PRO227 4.5 73.9 1.0 CB B:PRO227 4.7 75.4 1.0 C B:ASN230 4.8 66.4 1.0 CG B:GLU228 4.8 92.3 1.0 C B:CYS229 4.9 67.2 1.0 N B:GLY226 5.0 70.5 1.0 CA B:CYS229 5.0 68.5 1.0 C B:MET225 5.0 71.1 1.0

Chlorine binding site 6 out of 6 in the Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Notch Ligand, Jagged-1, Contains An N-Terminal C2 Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1343 b:52.0 occ:1.00 O B:LYS110 4.1 53.0 1.0 CB B:LYS110 4.3 51.2 1.0 C B:LYS110 4.8 51.8 1.0 CE B:LYS110 4.8 88.8 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