Calcium in PDB 6xsw: Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment
Protein crystallography data
The structure of Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment, PDB code: 6xsw
was solved by
J.Bard,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
112.66 /
2.98
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
133.652,
158.951,
159.687,
90,
90,
90
|
R / Rfree (%)
|
23.3 /
25.6
|
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
13;
Binding sites:
The binding sites of Calcium atom in the Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment
(pdb code 6xsw). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 13 binding sites of Calcium where determined in the
Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment, PDB code: 6xsw:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 13 in 6xsw
Go back to
Calcium Binding Sites List in 6xsw
Calcium binding site 1 out
of 13 in the Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1701
b:47.3
occ:1.00
|
OD1
|
C:ASP1399
|
2.1
|
45.6
|
1.0
|
O
|
C:LYS1396
|
2.2
|
51.9
|
1.0
|
OD2
|
C:ASP1403
|
2.3
|
52.6
|
1.0
|
O
|
C:ARG1401
|
2.4
|
41.8
|
1.0
|
OD2
|
C:ASP1414
|
2.5
|
54.4
|
1.0
|
OD2
|
C:ASP1417
|
2.6
|
52.0
|
1.0
|
OD1
|
C:ASP1414
|
2.7
|
53.3
|
1.0
|
CG
|
C:ASP1414
|
2.9
|
52.5
|
1.0
|
CG
|
C:ASP1399
|
3.1
|
48.1
|
1.0
|
C
|
C:LYS1396
|
3.4
|
51.3
|
1.0
|
CG
|
C:ASP1403
|
3.5
|
48.1
|
1.0
|
C
|
C:ARG1401
|
3.6
|
42.1
|
1.0
|
CG
|
C:ASP1417
|
3.6
|
46.9
|
1.0
|
OD2
|
C:ASP1399
|
3.6
|
57.3
|
1.0
|
CB
|
C:ASP1417
|
4.0
|
41.6
|
1.0
|
N
|
C:ASP1399
|
4.0
|
40.3
|
1.0
|
CB
|
C:LYS1396
|
4.1
|
50.5
|
1.0
|
CA
|
C:LYS1396
|
4.1
|
48.7
|
1.0
|
CB
|
C:ASP1399
|
4.2
|
41.0
|
1.0
|
N
|
C:ARG1401
|
4.2
|
37.4
|
1.0
|
N
|
C:ASP1403
|
4.2
|
43.0
|
1.0
|
CB
|
C:ASP1403
|
4.3
|
43.8
|
1.0
|
O
|
C:ASP1414
|
4.3
|
50.3
|
1.0
|
CB
|
C:ASP1414
|
4.3
|
48.4
|
1.0
|
CA
|
C:ARG1401
|
4.4
|
36.9
|
1.0
|
N
|
C:ARG1397
|
4.4
|
45.8
|
1.0
|
OD1
|
C:ASP1403
|
4.4
|
47.9
|
1.0
|
N
|
C:GLY1398
|
4.5
|
42.3
|
1.0
|
CA
|
C:ASP1399
|
4.6
|
39.6
|
1.0
|
CB
|
C:ARG1401
|
4.6
|
33.9
|
1.0
|
N
|
C:CYS1402
|
4.6
|
40.8
|
1.0
|
OD1
|
C:ASP1417
|
4.7
|
45.9
|
1.0
|
CA
|
C:ARG1397
|
4.7
|
44.9
|
1.0
|
CA
|
C:CYS1402
|
4.7
|
41.6
|
1.0
|
C
|
C:ARG1397
|
4.8
|
46.9
|
1.0
|
C
|
C:CYS1402
|
4.9
|
45.8
|
1.0
|
N
|
C:GLN1400
|
4.9
|
38.7
|
1.0
|
C
|
C:ASP1399
|
4.9
|
43.1
|
1.0
|
CA
|
C:ASP1403
|
4.9
|
42.9
|
1.0
|
|
Calcium binding site 2 out
of 13 in 6xsw
Go back to
Calcium Binding Sites List in 6xsw
Calcium binding site 2 out
of 13 in the Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1702
b:50.6
occ:1.00
|
O
|
C:ARG1484
|
2.1
|
57.9
|
1.0
|
OD2
|
C:ASP1500
|
2.2
|
74.5
|
1.0
|
OD1
|
C:ASP1482
|
2.3
|
52.5
|
1.0
|
OD2
|
C:ASP1497
|
2.3
|
68.8
|
1.0
|
OD2
|
C:ASP1486
|
2.5
|
69.4
|
1.0
|
O
|
C:HIS1479
|
2.6
|
48.4
|
1.0
|
CG
|
C:ASP1497
|
3.0
|
64.6
|
1.0
|
OD1
|
C:ASP1497
|
3.0
|
66.1
|
1.0
|
CG
|
C:ASP1500
|
3.2
|
67.6
|
1.0
|
CG
|
C:ASP1482
|
3.3
|
53.6
|
1.0
|
C
|
C:ARG1484
|
3.4
|
58.5
|
1.0
|
CB
|
C:ASP1500
|
3.6
|
56.7
|
1.0
|
CG
|
C:ASP1486
|
3.6
|
63.7
|
1.0
|
C
|
C:HIS1479
|
3.8
|
48.8
|
1.0
|
OD2
|
C:ASP1482
|
3.8
|
59.5
|
1.0
|
N
|
C:ASP1486
|
3.9
|
53.8
|
1.0
|
O
|
C:ASP1497
|
4.0
|
57.5
|
1.0
|
CB
|
C:ASP1486
|
4.1
|
54.4
|
1.0
|
OD1
|
C:ASP1500
|
4.2
|
67.9
|
1.0
|
N
|
C:ASP1482
|
4.3
|
47.2
|
1.0
|
N
|
C:CYS1485
|
4.3
|
55.9
|
1.0
|
N
|
C:ARG1484
|
4.3
|
54.3
|
1.0
|
CA
|
C:CYS1485
|
4.3
|
56.0
|
1.0
|
CA
|
C:ARG1484
|
4.3
|
54.1
|
1.0
|
CB
|
C:ASP1497
|
4.4
|
55.2
|
1.0
|
C
|
C:CYS1485
|
4.4
|
58.0
|
1.0
|
CB
|
C:HIS1479
|
4.5
|
44.2
|
1.0
|
CB
|
C:ASP1482
|
4.5
|
48.6
|
1.0
|
N
|
C:ALA1481
|
4.6
|
46.1
|
1.0
|
CA
|
C:ASP1486
|
4.7
|
52.9
|
1.0
|
CA
|
C:HIS1479
|
4.7
|
43.8
|
1.0
|
OD1
|
C:ASP1486
|
4.7
|
64.6
|
1.0
|
N
|
C:PHE1480
|
4.8
|
46.2
|
1.0
|
CA
|
C:ASP1482
|
4.8
|
47.3
|
1.0
|
N
|
C:GLY1483
|
4.9
|
51.4
|
1.0
|
CB
|
C:ARG1484
|
4.9
|
53.7
|
1.0
|
C
|
C:ASP1497
|
4.9
|
57.6
|
1.0
|
CA
|
C:PHE1480
|
5.0
|
45.9
|
1.0
|
C
|
C:PHE1480
|
5.0
|
49.0
|
1.0
|
|
Calcium binding site 3 out
of 13 in 6xsw
Go back to
Calcium Binding Sites List in 6xsw
Calcium binding site 3 out
of 13 in the Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1703
b:69.2
occ:1.00
|
OD2
|
C:ASP1455
|
2.1
|
62.1
|
1.0
|
OD2
|
C:ASP1444
|
2.5
|
84.6
|
1.0
|
O
|
C:ARG1442
|
2.5
|
70.3
|
1.0
|
OD1
|
C:ASN1440
|
2.6
|
57.7
|
1.0
|
O
|
C:LEU1437
|
2.7
|
61.6
|
1.0
|
OD2
|
C:ASP1458
|
2.8
|
79.0
|
1.0
|
CG
|
C:ASP1455
|
3.1
|
59.0
|
1.0
|
CG
|
C:ASN1440
|
3.2
|
68.3
|
1.0
|
OD1
|
C:ASP1455
|
3.3
|
60.2
|
1.0
|
ND2
|
C:ASN1440
|
3.4
|
59.8
|
1.0
|
CG
|
C:ASP1444
|
3.6
|
76.5
|
1.0
|
CG
|
C:ASP1458
|
3.7
|
73.5
|
1.0
|
C
|
C:ARG1442
|
3.7
|
71.0
|
1.0
|
C
|
C:LEU1437
|
3.9
|
62.3
|
1.0
|
CB
|
C:ASP1458
|
3.9
|
61.1
|
1.0
|
CB
|
C:ASP1444
|
4.2
|
66.3
|
1.0
|
O
|
C:ASP1455
|
4.2
|
53.2
|
1.0
|
N
|
C:ASP1444
|
4.2
|
65.1
|
1.0
|
O
|
C:ASN1440
|
4.3
|
69.5
|
1.0
|
N
|
C:ARG1442
|
4.4
|
67.9
|
1.0
|
C
|
C:ASN1440
|
4.4
|
69.6
|
1.0
|
CB
|
C:ASP1455
|
4.4
|
50.8
|
1.0
|
CB
|
C:ASN1440
|
4.5
|
59.8
|
1.0
|
CA
|
C:ARG1442
|
4.6
|
67.8
|
1.0
|
CB
|
C:LEU1437
|
4.6
|
57.9
|
1.0
|
OD1
|
C:ASP1444
|
4.6
|
76.1
|
1.0
|
N
|
C:CYS1443
|
4.7
|
67.1
|
1.0
|
C
|
C:SER1441
|
4.7
|
71.6
|
1.0
|
N
|
C:PHE1438
|
4.7
|
59.3
|
1.0
|
CA
|
C:ASN1440
|
4.7
|
63.0
|
1.0
|
N
|
C:SER1441
|
4.8
|
67.4
|
1.0
|
N
|
C:ASN1440
|
4.8
|
62.9
|
1.0
|
CA
|
C:LEU1437
|
4.8
|
58.0
|
1.0
|
CA
|
C:CYS1443
|
4.8
|
66.5
|
1.0
|
OD1
|
C:ASP1458
|
4.8
|
74.9
|
1.0
|
CA
|
C:PHE1438
|
4.8
|
59.3
|
1.0
|
C
|
C:CYS1443
|
4.8
|
69.5
|
1.0
|
CA
|
C:ASP1444
|
4.9
|
64.6
|
1.0
|
CG
|
C:ARG1442
|
4.9
|
77.9
|
1.0
|
O
|
C:PHE1438
|
4.9
|
63.4
|
1.0
|
C
|
C:ASP1455
|
5.0
|
54.1
|
1.0
|
C
|
C:PHE1438
|
5.0
|
63.9
|
1.0
|
|
Calcium binding site 4 out
of 13 in 6xsw
Go back to
Calcium Binding Sites List in 6xsw
Calcium binding site 4 out
of 13 in the Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ca1701
b:53.9
occ:1.00
|
OD2
|
F:ASP1403
|
2.1
|
66.1
|
1.0
|
OD1
|
F:ASP1399
|
2.3
|
67.7
|
1.0
|
O
|
F:LYS1396
|
2.3
|
71.2
|
1.0
|
OD2
|
F:ASP1414
|
2.5
|
76.1
|
1.0
|
O
|
F:ARG1401
|
2.5
|
55.6
|
1.0
|
OD2
|
F:ASP1417
|
2.7
|
64.8
|
1.0
|
OD1
|
F:ASP1414
|
2.8
|
72.8
|
1.0
|
CG
|
F:ASP1414
|
2.9
|
71.8
|
1.0
|
CG
|
F:ASP1399
|
3.3
|
66.8
|
1.0
|
CG
|
F:ASP1403
|
3.3
|
63.6
|
1.0
|
C
|
F:LYS1396
|
3.4
|
71.3
|
1.0
|
C
|
F:ARG1401
|
3.7
|
55.2
|
1.0
|
OD2
|
F:ASP1399
|
3.7
|
70.7
|
1.0
|
CG
|
F:ASP1417
|
3.8
|
59.5
|
1.0
|
CB
|
F:ASP1403
|
4.0
|
56.1
|
1.0
|
CB
|
F:LYS1396
|
4.0
|
70.4
|
1.0
|
N
|
F:ASP1403
|
4.1
|
54.5
|
1.0
|
CA
|
F:LYS1396
|
4.1
|
68.6
|
1.0
|
CB
|
F:ASP1417
|
4.2
|
53.6
|
1.0
|
N
|
F:ASP1399
|
4.3
|
56.3
|
1.0
|
OD1
|
F:ASP1403
|
4.3
|
64.5
|
1.0
|
O
|
F:ASP1414
|
4.3
|
60.6
|
1.0
|
CB
|
F:ASP1414
|
4.3
|
61.3
|
1.0
|
N
|
F:ARG1401
|
4.4
|
50.1
|
1.0
|
N
|
F:ARG1397
|
4.4
|
66.4
|
1.0
|
CB
|
F:ASP1399
|
4.4
|
57.0
|
1.0
|
CA
|
F:ARG1401
|
4.5
|
49.8
|
1.0
|
N
|
F:GLY1398
|
4.5
|
60.8
|
1.0
|
CA
|
F:ARG1397
|
4.6
|
65.3
|
1.0
|
N
|
F:CYS1402
|
4.7
|
51.9
|
1.0
|
CB
|
F:ARG1401
|
4.7
|
48.9
|
1.0
|
CA
|
F:ASP1403
|
4.7
|
54.7
|
1.0
|
CA
|
F:CYS1402
|
4.8
|
51.7
|
1.0
|
CA
|
F:ASP1399
|
4.8
|
55.3
|
1.0
|
C
|
F:CYS1402
|
4.8
|
56.7
|
1.0
|
OD1
|
F:ASP1417
|
4.9
|
58.8
|
1.0
|
C
|
F:ARG1397
|
4.9
|
66.5
|
1.0
|
|
Calcium binding site 5 out
of 13 in 6xsw
Go back to
Calcium Binding Sites List in 6xsw
Calcium binding site 5 out
of 13 in the Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ca1702
b:61.3
occ:1.00
|
OD2
|
F:ASP1444
|
2.3
|
66.6
|
1.0
|
O
|
F:ARG1442
|
2.3
|
58.5
|
1.0
|
O
|
F:LEU1437
|
2.3
|
61.8
|
1.0
|
OD1
|
F:ASN1440
|
2.3
|
66.6
|
1.0
|
OD2
|
F:ASP1458
|
2.6
|
56.5
|
1.0
|
OD2
|
F:ASP1455
|
2.6
|
56.7
|
1.0
|
OD1
|
F:ASP1455
|
2.6
|
56.2
|
1.0
|
CG
|
F:ASP1455
|
2.9
|
55.3
|
1.0
|
CG
|
F:ASN1440
|
3.3
|
75.7
|
1.0
|
CG
|
F:ASP1444
|
3.5
|
63.5
|
1.0
|
C
|
F:ARG1442
|
3.5
|
59.1
|
1.0
|
CG
|
F:ASP1458
|
3.6
|
55.6
|
1.0
|
C
|
F:LEU1437
|
3.6
|
62.0
|
1.0
|
ND2
|
F:ASN1440
|
3.7
|
68.3
|
1.0
|
CB
|
F:ASP1458
|
3.8
|
50.0
|
1.0
|
N
|
F:ARG1442
|
4.0
|
56.2
|
1.0
|
CB
|
F:ASP1444
|
4.1
|
57.6
|
1.0
|
N
|
F:ASP1444
|
4.1
|
57.1
|
1.0
|
CA
|
F:ARG1442
|
4.3
|
55.8
|
1.0
|
O
|
F:ASP1455
|
4.3
|
51.9
|
1.0
|
CB
|
F:ASP1455
|
4.4
|
48.3
|
1.0
|
N
|
F:PHE1438
|
4.4
|
58.2
|
1.0
|
OD1
|
F:ASP1444
|
4.5
|
64.1
|
1.0
|
O
|
F:PHE1438
|
4.5
|
61.3
|
1.0
|
CB
|
F:LEU1437
|
4.5
|
58.0
|
1.0
|
CA
|
F:PHE1438
|
4.5
|
57.8
|
1.0
|
CA
|
F:LEU1437
|
4.5
|
58.1
|
1.0
|
N
|
F:CYS1443
|
4.5
|
55.6
|
1.0
|
C
|
F:PHE1438
|
4.6
|
62.0
|
1.0
|
N
|
F:SER1441
|
4.7
|
57.0
|
1.0
|
CB
|
F:ASN1440
|
4.7
|
57.9
|
1.0
|
OD1
|
F:ASP1458
|
4.7
|
56.8
|
1.0
|
CA
|
F:CYS1443
|
4.7
|
55.7
|
1.0
|
C
|
F:CYS1443
|
4.7
|
60.5
|
1.0
|
CA
|
F:ASP1444
|
4.8
|
56.3
|
1.0
|
N
|
F:ASN1440
|
4.8
|
58.2
|
1.0
|
CB
|
F:ARG1442
|
4.9
|
56.0
|
1.0
|
C
|
F:ASP1455
|
4.9
|
51.5
|
1.0
|
|
Calcium binding site 6 out
of 13 in 6xsw
Go back to
Calcium Binding Sites List in 6xsw
Calcium binding site 6 out
of 13 in the Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ca1703
b:52.7
occ:1.00
|
OD1
|
F:ASP1482
|
2.3
|
59.8
|
1.0
|
O
|
F:HIS1479
|
2.3
|
48.4
|
1.0
|
OD2
|
F:ASP1500
|
2.3
|
55.8
|
1.0
|
O
|
F:ARG1484
|
2.4
|
46.6
|
1.0
|
OD2
|
F:ASP1497
|
2.4
|
58.6
|
1.0
|
OD2
|
F:ASP1486
|
2.5
|
56.9
|
1.0
|
OD1
|
F:ASP1497
|
2.9
|
51.3
|
1.0
|
CG
|
F:ASP1497
|
3.0
|
52.0
|
1.0
|
CG
|
F:ASP1482
|
3.3
|
60.1
|
1.0
|
CG
|
F:ASP1500
|
3.3
|
52.0
|
1.0
|
C
|
F:HIS1479
|
3.5
|
48.5
|
1.0
|
CG
|
F:ASP1486
|
3.6
|
50.2
|
1.0
|
C
|
F:ARG1484
|
3.6
|
48.3
|
1.0
|
OD2
|
F:ASP1482
|
3.7
|
67.7
|
1.0
|
CB
|
F:ASP1500
|
3.8
|
44.5
|
1.0
|
O
|
F:ASP1497
|
4.0
|
45.4
|
1.0
|
N
|
F:ASP1486
|
4.0
|
42.2
|
1.0
|
CB
|
F:ASP1486
|
4.1
|
43.1
|
1.0
|
CB
|
F:HIS1479
|
4.2
|
45.0
|
1.0
|
N
|
F:ASP1482
|
4.2
|
48.5
|
1.0
|
CA
|
F:HIS1479
|
4.4
|
44.3
|
1.0
|
OD1
|
F:ASP1500
|
4.4
|
52.9
|
1.0
|
CB
|
F:ASP1497
|
4.4
|
42.5
|
1.0
|
CB
|
F:ASP1482
|
4.5
|
50.4
|
1.0
|
N
|
F:ALA1481
|
4.5
|
46.1
|
1.0
|
N
|
F:ARG1484
|
4.5
|
47.3
|
1.0
|
N
|
F:CYS1485
|
4.5
|
45.1
|
1.0
|
N
|
F:PHE1480
|
4.5
|
44.7
|
1.0
|
CA
|
F:ARG1484
|
4.5
|
46.5
|
1.0
|
CA
|
F:CYS1485
|
4.6
|
44.8
|
1.0
|
C
|
F:CYS1485
|
4.6
|
47.1
|
1.0
|
OD1
|
F:ASP1486
|
4.7
|
49.4
|
1.0
|
CA
|
F:ASP1486
|
4.7
|
41.6
|
1.0
|
CA
|
F:PHE1480
|
4.7
|
44.4
|
1.0
|
C
|
F:PHE1480
|
4.8
|
49.0
|
1.0
|
CA
|
F:ASP1482
|
4.8
|
48.5
|
1.0
|
C
|
F:ASP1497
|
4.9
|
45.5
|
1.0
|
|
Calcium binding site 7 out
of 13 in 6xsw
Go back to
Calcium Binding Sites List in 6xsw
Calcium binding site 7 out
of 13 in the Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Ca1701
b:53.4
occ:1.00
|
OD2
|
J:ASP1414
|
2.2
|
85.6
|
1.0
|
O
|
J:LYS1396
|
2.3
|
69.2
|
1.0
|
OD1
|
J:ASP1414
|
2.5
|
80.3
|
1.0
|
OD1
|
J:ASP1399
|
2.5
|
61.7
|
1.0
|
OD2
|
J:ASP1417
|
2.5
|
84.2
|
1.0
|
CG
|
J:ASP1414
|
2.5
|
80.2
|
1.0
|
O
|
J:ARG1401
|
2.5
|
62.8
|
1.0
|
OD1
|
J:ASP1403
|
2.6
|
76.8
|
1.0
|
C
|
J:LYS1396
|
3.4
|
69.2
|
1.0
|
CG
|
J:ASP1417
|
3.5
|
78.5
|
1.0
|
CG
|
J:ASP1399
|
3.5
|
61.8
|
1.0
|
C
|
J:ARG1401
|
3.7
|
63.4
|
1.0
|
CB
|
J:ASP1417
|
3.8
|
69.1
|
1.0
|
CG
|
J:ASP1403
|
3.8
|
76.5
|
1.0
|
CB
|
J:ASP1414
|
3.9
|
72.2
|
1.0
|
O
|
J:ASP1414
|
4.0
|
74.4
|
1.0
|
N
|
J:ASP1399
|
4.1
|
55.9
|
1.0
|
OD2
|
J:ASP1399
|
4.1
|
66.9
|
1.0
|
N
|
J:ASP1403
|
4.2
|
65.0
|
1.0
|
N
|
J:GLY1398
|
4.2
|
60.5
|
1.0
|
CB
|
J:LYS1396
|
4.3
|
68.3
|
1.0
|
CA
|
J:LYS1396
|
4.3
|
66.0
|
1.0
|
N
|
J:ARG1397
|
4.3
|
65.0
|
1.0
|
CB
|
J:ASP1403
|
4.3
|
66.8
|
1.0
|
N
|
J:ARG1401
|
4.4
|
55.9
|
1.0
|
CA
|
J:ARG1397
|
4.5
|
64.2
|
1.0
|
CB
|
J:ASP1399
|
4.6
|
56.2
|
1.0
|
CA
|
J:ARG1401
|
4.6
|
56.1
|
1.0
|
C
|
J:ARG1397
|
4.6
|
66.6
|
1.0
|
OD1
|
J:ASP1417
|
4.6
|
79.0
|
1.0
|
N
|
J:CYS1402
|
4.7
|
62.9
|
1.0
|
CA
|
J:CYS1402
|
4.7
|
64.0
|
1.0
|
CA
|
J:ASP1399
|
4.8
|
54.9
|
1.0
|
OD2
|
J:ASP1403
|
4.8
|
82.0
|
1.0
|
C
|
J:ASP1414
|
4.8
|
74.6
|
1.0
|
CA
|
J:ASP1414
|
4.8
|
70.4
|
1.0
|
C
|
J:CYS1402
|
4.9
|
68.3
|
1.0
|
N
|
J:GLN1400
|
4.9
|
53.7
|
1.0
|
CA
|
J:ASP1403
|
4.9
|
64.8
|
1.0
|
CB
|
J:ARG1401
|
4.9
|
54.1
|
1.0
|
CA
|
J:GLY1398
|
4.9
|
59.0
|
1.0
|
|
Calcium binding site 8 out
of 13 in 6xsw
Go back to
Calcium Binding Sites List in 6xsw
Calcium binding site 8 out
of 13 in the Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Ca1702
b:48.5
occ:1.00
|
OD2
|
J:ASP1497
|
2.1
|
54.5
|
1.0
|
O
|
J:HIS1479
|
2.3
|
46.2
|
1.0
|
OD2
|
J:ASP1500
|
2.4
|
60.1
|
1.0
|
OD2
|
J:ASP1486
|
2.5
|
62.5
|
1.0
|
O
|
J:ARG1484
|
2.5
|
42.2
|
1.0
|
OD1
|
J:ASP1497
|
2.6
|
49.1
|
1.0
|
OD1
|
J:ASP1482
|
2.6
|
57.5
|
1.0
|
CG
|
J:ASP1497
|
2.6
|
50.1
|
1.0
|
CG
|
J:ASP1500
|
3.4
|
55.7
|
1.0
|
C
|
J:HIS1479
|
3.5
|
46.7
|
1.0
|
CG
|
J:ASP1486
|
3.5
|
55.3
|
1.0
|
CG
|
J:ASP1482
|
3.6
|
55.5
|
1.0
|
C
|
J:ARG1484
|
3.8
|
43.8
|
1.0
|
CB
|
J:ASP1500
|
3.8
|
47.6
|
1.0
|
O
|
J:ASP1497
|
3.8
|
47.2
|
1.0
|
CB
|
J:ASP1486
|
3.9
|
42.8
|
1.0
|
N
|
J:ASP1486
|
3.9
|
40.9
|
1.0
|
OD2
|
J:ASP1482
|
4.0
|
62.1
|
1.0
|
CB
|
J:ASP1497
|
4.1
|
45.5
|
1.0
|
CB
|
J:HIS1479
|
4.2
|
45.0
|
1.0
|
CA
|
J:HIS1479
|
4.4
|
44.4
|
1.0
|
N
|
J:ASP1482
|
4.4
|
38.6
|
1.0
|
N
|
J:PHE1480
|
4.4
|
41.8
|
1.0
|
N
|
J:ALA1481
|
4.5
|
36.7
|
1.0
|
OD1
|
J:ASP1500
|
4.5
|
56.4
|
1.0
|
CA
|
J:ASP1486
|
4.5
|
40.7
|
1.0
|
C
|
J:CYS1485
|
4.6
|
45.1
|
1.0
|
CA
|
J:CYS1485
|
4.6
|
42.6
|
1.0
|
CA
|
J:PHE1480
|
4.6
|
40.2
|
1.0
|
N
|
J:CYS1485
|
4.6
|
42.1
|
1.0
|
OD1
|
J:ASP1486
|
4.6
|
56.2
|
1.0
|
C
|
J:ASP1497
|
4.6
|
47.3
|
1.0
|
CB
|
J:ASP1482
|
4.7
|
40.6
|
1.0
|
N
|
J:ARG1484
|
4.8
|
38.5
|
1.0
|
C
|
J:PHE1480
|
4.8
|
41.6
|
1.0
|
CA
|
J:ARG1484
|
4.8
|
38.6
|
1.0
|
CA
|
J:ASP1497
|
4.8
|
44.0
|
1.0
|
|
Calcium binding site 9 out
of 13 in 6xsw
Go back to
Calcium Binding Sites List in 6xsw
Calcium binding site 9 out
of 13 in the Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Ca1703
b:122.6
occ:1.00
|
O
|
J:LEU1437
|
2.2
|
97.9
|
1.0
|
OD1
|
J:ASN1440
|
2.3
|
118.1
|
1.0
|
OD2
|
J:ASP1455
|
2.5
|
91.4
|
1.0
|
ND2
|
J:ASN1440
|
2.8
|
113.2
|
1.0
|
CG
|
J:ASN1440
|
2.9
|
121.8
|
1.0
|
OD2
|
J:ASP1444
|
2.9
|
106.3
|
1.0
|
O
|
J:ARG1442
|
3.0
|
100.4
|
1.0
|
OD2
|
J:ASP1458
|
3.0
|
96.0
|
1.0
|
OD1
|
J:ASP1455
|
3.1
|
85.2
|
1.0
|
CG
|
J:ASP1455
|
3.2
|
85.1
|
1.0
|
C
|
J:LEU1437
|
3.3
|
98.1
|
1.0
|
CG
|
J:ASP1444
|
3.7
|
101.5
|
1.0
|
CB
|
J:ASP1444
|
3.9
|
95.4
|
1.0
|
CA
|
J:LEU1437
|
4.0
|
94.2
|
1.0
|
CG
|
J:ASP1458
|
4.1
|
90.1
|
1.0
|
C
|
J:ARG1442
|
4.1
|
100.6
|
1.0
|
CB
|
J:LEU1437
|
4.1
|
94.2
|
1.0
|
N
|
J:ASP1444
|
4.3
|
94.7
|
1.0
|
CB
|
J:ASP1458
|
4.4
|
80.6
|
1.0
|
CB
|
J:ASN1440
|
4.4
|
95.7
|
1.0
|
N
|
J:PHE1438
|
4.4
|
94.3
|
1.0
|
C
|
J:CYS1443
|
4.6
|
99.2
|
1.0
|
CB
|
J:ASP1455
|
4.6
|
75.4
|
1.0
|
CG
|
J:LEU1437
|
4.7
|
98.9
|
1.0
|
OD1
|
J:ASP1444
|
4.7
|
101.1
|
1.0
|
CA
|
J:PHE1438
|
4.7
|
93.9
|
1.0
|
O
|
J:ASP1455
|
4.7
|
78.2
|
1.0
|
N
|
J:ARG1442
|
4.7
|
96.3
|
1.0
|
CA
|
J:ASP1444
|
4.8
|
93.9
|
1.0
|
CA
|
J:CYS1443
|
4.8
|
97.0
|
1.0
|
N
|
J:CYS1443
|
4.8
|
97.3
|
1.0
|
|
Calcium binding site 10 out
of 13 in 6xsw
Go back to
Calcium Binding Sites List in 6xsw
Calcium binding site 10 out
of 13 in the Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Structure of the NOTCH3 Nrr in Complex with An Antibody Fab Fragment within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Ca1701
b:39.5
occ:1.00
|
OD2
|
X:ASP1414
|
2.1
|
60.2
|
1.0
|
O
|
X:LYS1396
|
2.3
|
38.1
|
1.0
|
OD1
|
X:ASP1399
|
2.3
|
42.9
|
1.0
|
O
|
X:ARG1401
|
2.4
|
38.4
|
1.0
|
OD2
|
X:ASP1403
|
2.4
|
51.1
|
1.0
|
CG
|
X:ASP1414
|
2.6
|
58.1
|
1.0
|
OD1
|
X:ASP1414
|
2.7
|
60.4
|
1.0
|
OD2
|
X:ASP1417
|
2.7
|
55.8
|
1.0
|
CG
|
X:ASP1399
|
3.4
|
42.4
|
1.0
|
C
|
X:LYS1396
|
3.4
|
38.6
|
1.0
|
CG
|
X:ASP1403
|
3.6
|
48.0
|
1.0
|
C
|
X:ARG1401
|
3.6
|
39.9
|
1.0
|
CG
|
X:ASP1417
|
3.7
|
48.9
|
1.0
|
CB
|
X:ASP1417
|
3.8
|
43.3
|
1.0
|
O
|
X:ASP1414
|
3.9
|
50.5
|
1.0
|
OD2
|
X:ASP1399
|
4.0
|
48.1
|
1.0
|
CB
|
X:ASP1414
|
4.0
|
49.8
|
1.0
|
N
|
X:ASP1399
|
4.1
|
32.5
|
1.0
|
N
|
X:ASP1403
|
4.1
|
42.9
|
1.0
|
CB
|
X:LYS1396
|
4.2
|
35.4
|
1.0
|
CA
|
X:LYS1396
|
4.2
|
34.9
|
1.0
|
CB
|
X:ASP1403
|
4.3
|
43.6
|
1.0
|
N
|
X:ARG1401
|
4.3
|
35.3
|
1.0
|
CB
|
X:ASP1399
|
4.4
|
33.7
|
1.0
|
N
|
X:ARG1397
|
4.4
|
34.9
|
1.0
|
N
|
X:GLY1398
|
4.4
|
32.9
|
1.0
|
CA
|
X:ARG1401
|
4.4
|
35.0
|
1.0
|
OD1
|
X:ASP1403
|
4.6
|
48.6
|
1.0
|
N
|
X:CYS1402
|
4.6
|
38.7
|
1.0
|
CA
|
X:ARG1397
|
4.6
|
34.7
|
1.0
|
CA
|
X:ASP1399
|
4.6
|
32.4
|
1.0
|
CA
|
X:CYS1402
|
4.6
|
39.6
|
1.0
|
CB
|
X:ARG1401
|
4.7
|
32.1
|
1.0
|
C
|
X:ASP1414
|
4.8
|
50.0
|
1.0
|
C
|
X:ARG1397
|
4.8
|
37.4
|
1.0
|
C
|
X:CYS1402
|
4.8
|
45.3
|
1.0
|
OD1
|
X:ASP1417
|
4.8
|
47.5
|
1.0
|
CA
|
X:ASP1414
|
4.9
|
48.0
|
1.0
|
CA
|
X:ASP1403
|
4.9
|
42.5
|
1.0
|
C
|
X:ASP1399
|
4.9
|
37.4
|
1.0
|
N
|
X:GLN1400
|
4.9
|
34.2
|
1.0
|
|
Reference:
K.G.Geles,
Y.Gao,
A.Giannakou,
J.Pignatelli,
L.Sridharan,
T.Yamin,
J.Zhang,
R.Karim,
J.Bard,
M.Charati,
A.Maderna,
J.Lucas,
J.Golas,
M.Guffroy,
S.Pirie-Shepherd,
M.Roy,
J.Qian,
T.Franks,
W.Zhong,
C.O'donnell,
L.Tchistiakova,
H.P.Gerber,
P.Sapra.
Therapeutic Targeting Oncogenic NOTCH3 Pathway with A Non-Signaling Inhibitory Antibody Drug Conjugate To Be Published.
Page generated: Tue Jul 16 18:12:12 2024
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