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Calcium in PDB 5mwb: Human Notch-2 EGF11-13

Protein crystallography data

The structure of Human Notch-2 EGF11-13, PDB code: 5mwb was solved by R.J.Suckling, 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) 39.00 / 1.86
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 20.160, 49.790, 125.500, 90.00, 90.00, 90.00
R / Rfree (%) 22.8 / 26.4

Calcium Binding Sites:

The binding sites of Calcium atom in the Human Notch-2 EGF11-13 (pdb code 5mwb). 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 Notch-2 EGF11-13, PDB code: 5mwb:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 5mwb

Go back to Calcium Binding Sites List in 5mwb
Calcium binding site 1 out of 3 in the Human Notch-2 EGF11-13


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Notch-2 EGF11-13 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca605

b:25.9
occ:1.00
O A:LYS512 2.2 27.6 1.0
OE1 A:GLU497 2.2 25.1 1.0
O A:ILE495 2.3 26.2 1.0
OD1 A:ASP511 2.3 26.5 1.0
OE2 A:GLU494 2.4 32.8 1.0
O A:HOH726 2.5 25.6 1.0
CG A:ASP511 3.0 29.3 1.0
OD2 A:ASP511 3.1 36.9 1.0
CD A:GLU497 3.3 26.7 1.0
CD A:GLU494 3.4 35.5 1.0
C A:LYS512 3.4 29.4 1.0
C A:ILE495 3.5 29.7 1.0
CG A:GLU494 3.5 29.4 1.0
OE2 A:GLU497 3.7 27.7 1.0
N A:GLU497 4.0 24.4 1.0
N A:LYS512 4.1 28.3 1.0
CA A:VAL513 4.1 26.6 1.0
CA A:ASN496 4.2 26.8 1.0
N A:VAL513 4.2 29.6 1.0
N A:ASN514 4.2 26.7 1.0
N A:ASN496 4.3 27.9 1.0
CA A:LYS512 4.4 29.7 1.0
O A:ARG515 4.4 25.4 1.0
C A:ASP511 4.4 28.7 1.0
CB A:ASP511 4.4 27.4 1.0
O A:HOH729 4.4 34.4 1.0
OE1 A:GLU494 4.5 34.4 1.0
CA A:ILE495 4.6 26.9 1.0
N A:ILE495 4.6 28.1 1.0
CG A:GLU497 4.6 28.7 1.0
C A:VAL513 4.6 26.9 1.0
C A:ASN496 4.7 26.0 1.0
O A:HOH748 4.7 34.0 1.0
CA A:ASP511 4.8 25.8 1.0
CB A:GLU494 4.8 33.3 1.0
CB A:GLU497 4.8 25.0 1.0
O A:GLY485 4.8 25.0 1.0
O A:ASP511 4.9 31.9 1.0
C A:GLU494 4.9 30.8 1.0
CB A:ILE495 5.0 27.3 1.0

Calcium binding site 2 out of 3 in 5mwb

Go back to Calcium Binding Sites List in 5mwb
Calcium binding site 2 out of 3 in the Human Notch-2 EGF11-13


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Notch-2 EGF11-13 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca606

b:35.2
occ:1.00
O A:VAL416 2.2 38.5 1.0
OD1 A:ASP415 2.3 38.9 1.0
OD1 A:ASN435 2.4 32.5 1.0
O A:HOH703 2.4 37.5 1.0
O A:THR436 2.4 29.8 1.0
OE1 A:GLU418 2.5 36.1 1.0
O A:ALA439 2.5 34.4 1.0
OD2 A:ASP415 2.9 39.2 1.0
CG A:ASP415 2.9 39.2 1.0
CD A:GLU418 3.4 37.7 1.0
CG A:ASN435 3.4 34.9 1.0
C A:VAL416 3.4 40.7 1.0
OE2 A:GLU418 3.5 42.8 1.0
C A:THR436 3.6 33.4 1.0
C A:ALA439 3.6 34.6 1.0
N A:ALA439 3.7 34.8 1.0
ND2 A:ASN435 3.9 34.1 1.0
N A:THR436 4.0 27.7 1.0
N A:GLY438 4.1 35.9 1.0
N A:VAL416 4.1 42.9 1.0
CA A:ALA439 4.1 37.2 1.0
CA A:VAL416 4.4 42.2 1.0
N A:ASP417 4.4 42.3 1.0
C A:GLY438 4.4 37.3 1.0
CA A:ASP417 4.4 40.8 1.0
N A:GLU418 4.4 39.6 1.0
CB A:ASP415 4.4 44.3 1.0
CA A:THR436 4.5 31.1 1.0
N A:ASP437 4.6 35.5 1.0
CA A:ASP437 4.6 35.3 0.4
CA A:ASP437 4.6 35.1 0.6
O A:HOH779 4.6 42.1 1.0
C A:ASP437 4.7 36.8 1.0
CB A:ASN435 4.7 30.6 1.0
CA A:GLY438 4.7 37.8 1.0
N A:PHE440 4.7 34.3 1.0
CG A:GLU418 4.8 38.2 1.0
C A:ASP415 4.8 42.6 1.0
C A:ASN435 4.8 28.1 1.0
CA A:ASN435 4.9 32.4 1.0
CB A:VAL416 4.9 43.4 1.0
OG1 A:THR436 5.0 34.9 1.0
C A:ASP417 5.0 43.0 1.0

Calcium binding site 3 out of 3 in 5mwb

Go back to Calcium Binding Sites List in 5mwb
Calcium binding site 3 out of 3 in the Human Notch-2 EGF11-13


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Human Notch-2 EGF11-13 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca607

b:35.6
occ:1.00
O A:ILE457 2.2 39.0 1.0
OD1 A:ASP473 2.3 34.4 1.0
OD1 A:ASP456 2.4 40.0 1.0
O A:HOH725 2.4 39.9 1.0
O A:LYS474 2.4 30.8 1.0
OE1 A:GLU459 2.4 39.3 1.0
O A:HOH720 2.5 36.9 1.0
CG A:ASP473 2.9 38.2 1.0
OD2 A:ASP473 2.9 45.1 1.0
CG A:ASP456 3.4 41.2 1.0
C A:LYS474 3.4 31.6 1.0
C A:ILE457 3.4 39.2 1.0
CD A:GLU459 3.5 39.7 1.0
OD2 A:ASP456 3.7 42.8 1.0
OE2 A:GLU459 3.8 39.6 1.0
N A:LYS474 4.0 33.4 1.0
N A:GLY476 4.2 30.6 1.0
N A:ILE475 4.2 35.0 1.0
N A:ILE457 4.2 37.7 1.0
CA A:ILE475 4.3 32.5 1.0
CA A:LYS474 4.3 35.3 1.0
N A:GLU459 4.3 37.6 1.0
O A:GLY477 4.3 34.9 1.0
CB A:ASP473 4.3 37.5 1.0
N A:ASN458 4.3 39.4 1.0
O A:HOH713 4.3 41.0 1.0
CA A:ASN458 4.4 38.7 1.0
CA A:ILE457 4.4 36.9 1.0
C A:ASP473 4.4 36.5 1.0
C A:ASP456 4.5 41.2 1.0
C A:ILE475 4.7 28.4 1.0
CB A:ASP456 4.7 42.6 1.0
O A:GLY447 4.7 33.8 1.0
CA A:ASP473 4.8 33.2 1.0
CG A:GLU459 4.8 39.8 1.0
O A:ASP456 4.8 42.2 1.0
N A:GLY477 4.9 36.3 1.0
C A:ASN458 4.9 36.5 1.0
CB A:ILE457 4.9 38.5 1.0

Reference:

R.J.Suckling, B.Korona, P.Whiteman, C.Chillakuri, L.Holt, P.A.Handford, S.M.Lea. Structural and Functional Dissection of the Interplay Between Lipid and Notch Binding By Human Notch Ligands. Embo J. V. 36 2204 2017.
ISSN: ESSN 1460-2075
PubMed: 28572448
DOI: 10.15252/EMBJ.201796632
Page generated: Mon Jul 15 08:38:57 2024

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