Chlorine in PDB 3eto: 2 Angstrom Xray Structure of the NOTCH1 Negative Regulatory Region (Nrr)

The structure of 2 Angstrom Xray Structure of the NOTCH1 Negative Regulatory Region (Nrr), PDB code: 3eto was solved by W.R.Gordon, S.C.Blacklow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	169.927, 91.759, 59.844, 90.00, 109.38, 90.00
R / Rfree (%)	21.1 / 25.2

The structure of 2 Angstrom Xray Structure of the NOTCH1 Negative Regulatory Region (Nrr) also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Chlorine atom in the 2 Angstrom Xray Structure of the NOTCH1 Negative Regulatory Region (Nrr) (pdb code 3eto). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 2 Angstrom Xray Structure of the NOTCH1 Negative Regulatory Region (Nrr), PDB code: 3eto:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 2 Angstrom Xray Structure of the NOTCH1 Negative Regulatory Region (Nrr)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2 Angstrom Xray Structure of the NOTCH1 Negative Regulatory Region (Nrr) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:37.9 occ:1.00 NE1 A:TRP1475 3.2 31.4 1.0 O A:HOH69 3.2 40.0 1.0 N A:TRP1488 3.3 35.2 1.0 CA A:ASP1486 3.5 35.9 1.0 CD2 A:HIS1471 3.5 43.8 1.0 C A:ASP1486 3.6 35.3 1.0 CB A:ASP1486 3.6 36.8 1.0 CE3 A:TRP1488 3.6 35.2 1.0 CB A:TRP1488 3.7 35.6 1.0 N A:PRO1487 3.7 34.7 1.0 CA A:TRP1488 3.8 36.3 1.0 NE2 A:HIS1471 3.9 46.2 1.0 CD A:PRO1487 3.9 34.7 1.0 CD1 A:TRP1475 3.9 35.6 1.0 O A:ASP1486 4.1 33.9 1.0 N A:LYS1489 4.1 37.9 1.0 C A:TRP1488 4.2 37.1 1.0 CE2 A:TRP1475 4.3 34.6 1.0 C A:PRO1487 4.3 35.1 1.0 CD2 A:TRP1488 4.4 35.0 1.0 OD1 A:ASP1486 4.4 43.8 1.0 CG A:TRP1488 4.5 35.0 1.0 CG A:ASP1486 4.5 41.9 1.0 CA A:PRO1487 4.5 34.8 1.0 CZ3 A:TRP1488 4.6 32.9 1.0 CZ2 A:TRP1475 4.7 36.5 1.0 N A:ASP1486 4.8 35.6 1.0 CG A:HIS1471 4.8 44.8 1.0 CB A:PRO1487 4.9 34.1 1.0 O A:TRP1488 5.0 37.6 1.0

Chlorine binding site 2 out of 2 in the 2 Angstrom Xray Structure of the NOTCH1 Negative Regulatory Region (Nrr)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2 Angstrom Xray Structure of the NOTCH1 Negative Regulatory Region (Nrr) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:41.0 occ:1.00 NE1 B:TRP1475 3.2 35.6 1.0 O B:HOH13 3.2 45.6 1.0 N B:TRP1488 3.4 35.7 1.0 CA B:ASP1486 3.4 36.5 1.0 CE3 B:TRP1488 3.5 34.9 1.0 C B:ASP1486 3.5 35.6 1.0 CD2 B:HIS1471 3.6 42.9 1.0 N B:PRO1487 3.6 35.2 1.0 CB B:ASP1486 3.7 37.5 1.0 CD B:PRO1487 3.7 34.7 1.0 CB B:TRP1488 3.7 35.5 1.0 NE2 B:HIS1471 3.7 45.3 1.0 CA B:TRP1488 4.0 35.9 1.0 CD1 B:TRP1475 4.0 37.9 1.0 O B:ASP1486 4.2 34.4 1.0 CE2 B:TRP1475 4.3 36.0 1.0 CD2 B:TRP1488 4.3 33.1 1.0 C B:TRP1488 4.4 35.9 1.0 C B:PRO1487 4.4 35.5 1.0 N B:LYS1489 4.4 37.1 1.0 OD1 B:ASP1486 4.4 47.0 1.0 CG B:TRP1488 4.5 34.1 1.0 CA B:PRO1487 4.5 34.9 1.0 CZ3 B:TRP1488 4.5 33.7 1.0 CG B:ASP1486 4.5 42.2 1.0 N B:ASP1486 4.7 36.2 1.0 CZ2 B:TRP1475 4.7 37.0 1.0 CG B:HIS1471 4.8 45.0 1.0 CG B:PRO1487 4.9 34.7 1.0 CB B:PRO1487 4.9 34.6 1.0 CE1 B:HIS1471 5.0 47.3 1.0

W.R.Gordon, M.Roy, D.Vardar-Ulu, M.Garfinkel, M.R.Mansour, J.C.Aster, S.C.Blacklow. Structure of the NOTCH1-Negative Regulatory Region: Implications For Normal Activation and Pathogenic Signaling in T-All. Blood V. 113 4381 2009.
ISSN: ISSN 0006-4971
PubMed: 19075186
DOI: 10.1182/BLOOD-2008-08-174748