Barium in PDB 9b3g: Human Notch-1 Egfs 21-23

The structure of Human Notch-1 Egfs 21-23, PDB code: 9b3g was solved by S.Johnson, D.Sheppard, 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)	41.92 / 1.55
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	41.92, 41.92, 61.18, 90, 90, 90
R / Rfree (%)	19.5 / 21.8

The binding sites of Barium atom in the Human Notch-1 Egfs 21-23 (pdb code 9b3g). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the Human Notch-1 Egfs 21-23, PDB code: 9b3g:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in the Human Notch-1 Egfs 21-23


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Human Notch-1 Egfs 21-23 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba1001 b:28.3 occ:0.61 BA A:BA1001 0.0 28.3 0.6 BA A:BA1001 0.7 19.7 0.4 O A:HOH1140 2.3 29.6 1.0 O A:GLY890 2.6 31.4 1.0 O A:ILE870 2.6 26.1 1.0 OE1 A:GLU872 2.7 29.4 1.0 OD1 A:ASP869 2.8 33.3 1.0 OD1 A:ASN886 2.9 28.1 1.0 O A:THR887 2.9 26.8 1.0 H A:GLY890 3.0 35.1 1.0 OD2 A:ASP869 3.1 29.1 1.0 CG A:ASP869 3.3 29.9 1.0 N A:GLY890 3.3 29.2 1.0 C A:GLY890 3.4 26.2 1.0 H A:GLY889 3.5 37.7 1.0 CD A:GLU872 3.6 26.2 1.0 OE2 A:GLU872 3.7 34.8 1.0 CA A:GLY890 3.7 29.0 1.0 HA A:ASN871 3.8 31.0 1.0 H A:THR887 3.8 30.2 1.0 C A:ILE870 3.8 26.7 1.0 HA2 A:GLY890 3.8 34.8 1.0 H A:GLU872 3.8 29.7 1.0 C A:GLY889 4.0 30.8 1.0 N A:GLY889 4.0 31.4 1.0 H A:ILE870 4.1 34.5 1.0 CG A:ASN886 4.1 27.1 1.0 C A:THR887 4.1 31.4 1.0 HB3 A:TYR891 4.2 29.4 1.0 N A:THR887 4.3 25.2 1.0 HA2 A:GLY889 4.3 39.0 1.0 CA A:GLY889 4.4 32.6 1.0 HD21 A:ASN886 4.5 37.4 1.0 N A:ILE870 4.5 28.7 1.0 HA A:ASN886 4.6 31.0 1.0 CA A:ASN871 4.6 25.9 1.0 N A:TYR891 4.6 28.9 1.0 N A:ASN871 4.6 27.1 1.0 N A:GLU872 4.6 24.9 1.0 HA3 A:GLY890 4.7 34.8 1.0 ND2 A:ASN886 4.7 31.1 1.0 CA A:ILE870 4.7 28.1 1.0 HB A:ILE870 4.7 34.1 1.0 O A:GLY860 4.8 27.3 1.0 HA A:HIS888 4.8 36.5 1.0 CB A:ASP869 4.8 32.4 1.0 O A:GLY889 4.8 34.4 1.0 CA A:THR887 4.9 27.2 1.0 C A:HIS888 4.9 34.6 1.0 HD1 A:TYR891 5.0 30.2 1.0 HB2 A:GLU872 5.0 29.3 1.0 HA A:TYR891 5.0 29.9 1.0

Barium binding site 2 out of 2 in the Human Notch-1 Egfs 21-23


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Human Notch-1 Egfs 21-23 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba1001 b:19.7 occ:0.39 BA A:BA1001 0.0 19.7 0.4 BA A:BA1001 0.7 28.3 0.6 OD1 A:ASN886 2.4 28.1 1.0 O A:THR887 2.6 26.8 1.0 OD2 A:ASP869 2.6 29.1 1.0 O A:ILE870 2.6 26.1 1.0 OD1 A:ASP869 2.7 33.3 1.0 O A:GLY890 2.8 31.4 1.0 O A:HOH1140 2.9 29.6 1.0 CG A:ASP869 3.0 29.9 1.0 OE1 A:GLU872 3.2 29.4 1.0 H A:GLY890 3.3 35.1 1.0 H A:GLY889 3.4 37.7 1.0 HA A:ASN871 3.5 31.0 1.0 CG A:ASN886 3.5 27.1 1.0 H A:THR887 3.6 30.2 1.0 N A:GLY890 3.7 29.2 1.0 C A:ILE870 3.8 26.7 1.0 C A:THR887 3.8 31.4 1.0 C A:GLY890 3.8 26.2 1.0 HD21 A:ASN886 3.8 37.4 1.0 H A:GLU872 4.0 29.7 1.0 N A:THR887 4.0 25.2 1.0 N A:GLY889 4.0 31.4 1.0 ND2 A:ASN886 4.1 31.1 1.0 CD A:GLU872 4.1 26.2 1.0 H A:ILE870 4.2 34.5 1.0 CA A:GLY890 4.2 29.0 1.0 HA A:ASN886 4.3 31.0 1.0 OE2 A:GLU872 4.3 34.8 1.0 CA A:ASN871 4.4 25.9 1.0 HA2 A:GLY890 4.4 34.8 1.0 C A:GLY889 4.4 30.8 1.0 HA A:HIS888 4.4 36.5 1.0 N A:ILE870 4.5 28.7 1.0 CB A:ASP869 4.5 32.4 1.0 N A:ASN871 4.5 27.1 1.0 HB3 A:TYR891 4.5 29.4 1.0 CA A:THR887 4.6 27.2 1.0 CA A:GLY889 4.6 32.6 1.0 HA2 A:GLY889 4.6 39.0 1.0 C A:ASN886 4.7 26.3 1.0 N A:GLU872 4.7 24.9 1.0 O A:HOH1125 4.7 36.4 1.0 CB A:ASN886 4.8 27.3 1.0 CA A:ILE870 4.8 28.1 1.0 N A:HIS888 4.8 31.1 1.0 CA A:ASN886 4.8 25.8 1.0 C A:HIS888 4.8 34.6 1.0 HB3 A:ASP869 4.8 38.9 1.0 CA A:HIS888 4.9 30.4 1.0 HB2 A:ASP869 4.9 38.9 1.0 HD22 A:ASN886 5.0 37.4 1.0 N A:TYR891 5.0 28.9 1.0

Z.Bo, T.Rowntree, S.Johnson, H.Nurmandi, R.Suckling, J.Hill, B.Korona, P.Weisshuhn, D.Sheppard, Y.Meng, S.Liang, E.Lowe, S.M.Lea, C.Redfield, P.A.Handford. Structural and Functional Studies of the EGF20-27 Region Reveal New Features of the Human Notch Receptor Important For Optimal Activation To Be Published.