Calcium in PDB 4cue: Human NOTCH1 Egf Domains 11-13 Mutant T466V

The structure of Human NOTCH1 Egf Domains 11-13 Mutant T466V, PDB code: 4cue was solved by P.Taylor, H.Takeuchi, D.Sheppard, C.Chillakuri, S.Lea, R.Haltiwanger, P.Handford, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.67 / 3.00
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	63.780, 63.780, 127.270, 90.00, 90.00, 120.00
R / Rfree (%)	25.97 / 28.2

The binding sites of Calcium atom in the Human NOTCH1 Egf Domains 11-13 Mutant T466V (pdb code 4cue). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Human NOTCH1 Egf Domains 11-13 Mutant T466V, PDB code: 4cue:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Human NOTCH1 Egf Domains 11-13 Mutant T466V


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human NOTCH1 Egf Domains 11-13 Mutant T466V within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1534 b:97.9 occ:1.00 O A:GLN470 2.2 94.4 1.0 O A:VAL453 2.3 0.4 1.0 OD1 A:ASP452 2.4 0.3 1.0 OD1 A:ASP469 2.4 0.7 1.0 OE1 A:GLU455 2.4 0.1 1.0 C A:GLN470 3.3 94.7 1.0 CG A:ASP452 3.4 0.6 1.0 CG A:ASP469 3.5 0.4 1.0 CD A:GLU455 3.5 0.5 1.0 C A:VAL453 3.5 0.7 1.0 OD2 A:ASP452 3.8 0.3 1.0 OE2 A:GLU455 3.8 0.5 1.0 N A:GLN470 3.9 92.8 1.0 OD2 A:ASP469 4.0 0.2 1.0 C A:ASP469 4.1 98.9 1.0 CA A:GLN470 4.1 91.3 1.0 N A:ILE471 4.2 90.0 1.0 CA A:ILE471 4.3 89.8 1.0 N A:GLY472 4.3 92.6 1.0 N A:VAL453 4.3 0.8 1.0 C A:ASP452 4.4 0.4 1.0 N A:GLU455 4.4 0.6 1.0 O A:ASP469 4.4 98.5 1.0 N A:ASN454 4.5 1.0 1.0 CA A:VAL453 4.5 0.9 1.0 CA A:ASN454 4.5 0.5 1.0 O A:ASP452 4.5 0.2 1.0 O A:GLU473 4.7 89.3 1.0 CB A:ASP469 4.7 0.6 1.0 CB A:ASP452 4.7 0.0 1.0 CA A:ASP469 4.7 99.0 1.0 O A:GLY443 4.8 0.7 1.0 CG A:GLU455 4.8 0.0 1.0 C A:ILE471 4.8 95.0 1.0 CA A:ASP452 4.9 0.6 1.0 C A:ASN454 5.0 0.8 1.0

Calcium binding site 2 out of 3 in the Human NOTCH1 Egf Domains 11-13 Mutant T466V


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human NOTCH1 Egf Domains 11-13 Mutant T466V within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1535 b:82.3 occ:1.00 O A:LYS508 2.2 84.2 1.0 O A:THR491 2.3 80.2 1.0 OD1 A:ASN490 2.3 82.4 1.0 OE1 A:GLU493 2.3 93.4 1.0 O A:HOH2001 2.3 43.9 1.0 OD2 A:ASP507 2.4 0.5 1.0 OD1 A:ASP507 2.5 87.3 1.0 CG A:ASP507 2.7 90.4 1.0 CD A:GLU493 3.4 98.1 1.0 C A:LYS508 3.5 84.3 1.0 CG A:ASN490 3.5 87.7 1.0 C A:THR491 3.5 80.7 1.0 OE2 A:GLU493 3.8 68.8 1.0 N A:LYS508 4.0 78.8 1.0 N A:GLU493 4.1 86.3 1.0 ND2 A:ASN490 4.2 74.8 1.0 CB A:ASP507 4.2 77.6 1.0 N A:THR491 4.3 75.0 1.0 C A:ASN490 4.3 76.9 1.0 CA A:LYS508 4.3 78.6 1.0 N A:ASN510 4.4 79.8 1.0 N A:ILE509 4.4 80.7 1.0 CA A:ASP492 4.4 82.3 1.0 CA A:THR491 4.4 74.4 1.0 O A:GLU511 4.4 92.5 1.0 N A:ASP492 4.4 80.6 1.0 CA A:ILE509 4.4 78.8 1.0 O A:ASN490 4.4 81.1 1.0 C A:ASP507 4.6 81.4 1.0 CG A:GLU493 4.6 88.8 1.0 CB A:ASN490 4.6 64.4 1.0 O A:GLY481 4.8 85.5 1.0 C A:ASP492 4.8 90.6 1.0 CB A:GLU493 4.8 87.4 1.0 CA A:ASP507 4.8 76.3 1.0 C A:ILE509 4.9 81.4 1.0 CA A:ASN490 4.9 65.7 1.0 CB A:THR491 4.9 77.8 1.0

Calcium binding site 3 out of 3 in the Human NOTCH1 Egf Domains 11-13 Mutant T466V


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Human NOTCH1 Egf Domains 11-13 Mutant T466V within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1536 b:0.6 occ:1.00 O A:VAL413 2.3 0.5 1.0 O A:THR432 2.4 0.3 1.0 OE1 A:GLU415 2.5 0.5 1.0 O A:SER435 2.5 0.8 1.0 OD1 A:ASN431 2.5 98.9 1.0 CD A:GLU415 3.4 0.7 1.0 C A:SER435 3.5 0.6 1.0 CG A:ASN431 3.6 0.5 1.0 C A:VAL413 3.6 0.6 1.0 C A:THR432 3.6 0.9 1.0 OE2 A:GLU415 3.7 0.2 1.0 N A:SER435 3.7 0.2 1.0 N A:GLY434 3.9 0.3 1.0 ND2 A:ASN431 4.0 85.4 1.0 CA A:SER435 4.1 0.4 1.0 N A:THR432 4.1 1.0 1.0 N A:VAL413 4.3 93.9 1.0 C A:GLY434 4.4 0.8 1.0 CA A:ASP414 4.4 94.1 1.0 N A:GLU415 4.5 90.7 1.0 N A:ASP414 4.5 95.2 1.0 CA A:LEU433 4.5 0.6 1.0 CA A:VAL413 4.5 93.5 1.0 CA A:THR432 4.5 0.5 1.0 N A:LEU433 4.5 0.3 1.0 C A:LEU433 4.6 1.0 1.0 CA A:GLY434 4.6 0.7 1.0 N A:PHE436 4.7 0.7 1.0 CG A:GLU415 4.8 96.7 1.0 CB A:ASN431 4.9 0.6 1.0 CB A:VAL413 5.0 96.6 1.0 OG1 A:THR432 5.0 0.8 1.0

P.Taylor, H.Takeuchi, D.Sheppard, C.Chillakuri, S.M.Lea, R.S.Haltiwanger, P.A.Handford. Fringe-Mediated Extension of O-Linked Fucose in the Ligand- Binding Region of NOTCH1 Increases Binding to Mammalian Notch Ligands. Proc.Natl.Acad.Sci.Usa V. 111 7290 2014.
ISSN: ISSN 0027-8424
PubMed: 24803430
DOI: 10.1073/PNAS.1319683111