Calcium in PDB 9etn: Crystal Structure of Murine CRTAC1
Protein crystallography data
The structure of Crystal Structure of Murine CRTAC1, PDB code: 9etn
was solved by
J.W.Beugelink,
H.Hof,
B.J.C.Janssen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
81.71 /
1.58
|
|
Space group
|
C 1 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
167.514,
84.204,
59.718,
90,
102.7,
90
|
|
R / Rfree (%)
|
15 /
19.5
|
Other elements in 9etn:
The structure of Crystal Structure of Murine CRTAC1 also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of Murine CRTAC1
(pdb code 9etn). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the
Crystal Structure of Murine CRTAC1, PDB code: 9etn:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
Calcium binding site 1 out
of 6 in 9etn
Go back to
Calcium Binding Sites List in 9etn
Calcium binding site 1 out
of 6 in the Crystal Structure of Murine CRTAC1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of Murine CRTAC1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca701
b:36.1
occ:1.00
|
O
|
A:ASP69
|
2.3
|
24.9
|
1.0
|
|
OD1
|
A:ASP63
|
2.3
|
26.6
|
1.0
|
|
OD1
|
A:ASP67
|
2.4
|
36.4
|
1.0
|
|
OD1
|
A:ASP65
|
2.4
|
28.9
|
1.0
|
|
OE2
|
A:GLU71
|
2.5
|
23.7
|
1.0
|
|
OE1
|
A:GLU71
|
2.6
|
25.2
|
1.0
|
|
CD
|
A:GLU71
|
2.9
|
24.2
|
1.0
|
|
C
|
A:ASP69
|
3.2
|
26.2
|
1.0
|
|
CG
|
A:ASP63
|
3.3
|
25.1
|
1.0
|
|
CG
|
A:ASP67
|
3.3
|
36.9
|
1.0
|
|
CG
|
A:ASP65
|
3.5
|
30.3
|
1.0
|
|
N
|
A:ASP69
|
3.8
|
31.1
|
1.0
|
|
CA
|
A:ASP69
|
3.9
|
29.9
|
1.0
|
|
OD2
|
A:ASP67
|
3.9
|
34.8
|
1.0
|
|
N
|
A:ASP67
|
3.9
|
38.1
|
1.0
|
|
NZ
|
A:LYS85
|
4.0
|
27.6
|
1.0
|
|
N
|
A:ASP65
|
4.0
|
28.8
|
1.0
|
|
CB
|
A:ASP69
|
4.0
|
33.4
|
1.0
|
|
CA
|
A:ASP63
|
4.0
|
21.3
|
1.0
|
|
OD2
|
A:ASP63
|
4.0
|
31.2
|
1.0
|
|
N
|
A:VAL64
|
4.1
|
23.3
|
1.0
|
|
CB
|
A:ASP63
|
4.1
|
23.0
|
1.0
|
|
OD2
|
A:ASP65
|
4.1
|
32.1
|
1.0
|
|
N
|
A:PHE70
|
4.2
|
22.8
|
1.0
|
|
C
|
A:ASP63
|
4.3
|
22.9
|
1.0
|
|
CB
|
A:ASP67
|
4.3
|
35.3
|
1.0
|
|
N
|
A:GLY68
|
4.4
|
38.0
|
1.0
|
|
N
|
A:HIS66
|
4.4
|
34.8
|
1.0
|
|
CG
|
A:GLU71
|
4.4
|
22.3
|
1.0
|
|
CA
|
A:ASP67
|
4.5
|
37.5
|
1.0
|
|
C
|
A:ASP65
|
4.5
|
33.8
|
1.0
|
|
CA
|
A:PHE70
|
4.5
|
22.4
|
1.0
|
|
C
|
A:ASP67
|
4.6
|
36.3
|
1.0
|
|
CA
|
A:ASP65
|
4.6
|
30.4
|
1.0
|
|
C
|
A:GLY68
|
4.6
|
35.2
|
1.0
|
|
CB
|
A:ASP65
|
4.6
|
29.9
|
1.0
|
|
C
|
A:PHE70
|
4.7
|
22.0
|
1.0
|
|
N
|
A:GLU71
|
4.7
|
20.3
|
1.0
|
|
Calcium binding site 2 out
of 6 in 9etn
Go back to
Calcium Binding Sites List in 9etn
Calcium binding site 2 out
of 6 in the Crystal Structure of Murine CRTAC1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of Murine CRTAC1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca702
b:21.4
occ:1.00
|
OD1
|
A:ASP126
|
2.3
|
22.6
|
1.0
|
|
O
|
A:ARG128
|
2.3
|
17.8
|
1.0
|
|
OD1
|
A:ASP124
|
2.3
|
22.7
|
1.0
|
|
OE2
|
A:GLU130
|
2.4
|
23.4
|
1.0
|
|
OD1
|
A:ASP122
|
2.5
|
17.7
|
1.0
|
|
OE1
|
A:GLU130
|
2.5
|
16.8
|
1.0
|
|
CD
|
A:GLU130
|
2.8
|
19.3
|
1.0
|
|
CG
|
A:ASP126
|
3.2
|
24.1
|
1.0
|
|
C
|
A:ARG128
|
3.4
|
19.7
|
1.0
|
|
CG
|
A:ASP124
|
3.4
|
22.9
|
1.0
|
|
CG
|
A:ASP122
|
3.5
|
18.6
|
1.0
|
|
OD2
|
A:ASP126
|
3.7
|
25.5
|
1.0
|
|
NZ
|
A:LYS152
|
4.0
|
25.5
|
1.0
|
|
OD2
|
A:ASP124
|
4.0
|
26.0
|
1.0
|
|
N
|
A:ARG128
|
4.0
|
22.0
|
1.0
|
|
CA
|
A:ASP122
|
4.1
|
17.4
|
1.0
|
|
CA
|
A:ARG128
|
4.1
|
21.7
|
1.0
|
|
N
|
A:ASP124
|
4.2
|
19.6
|
1.0
|
|
CB
|
A:ASP122
|
4.2
|
18.6
|
1.0
|
|
N
|
A:ILE123
|
4.2
|
18.8
|
1.0
|
|
N
|
A:ASP126
|
4.2
|
21.7
|
1.0
|
|
CB
|
A:ARG128
|
4.3
|
26.9
|
1.0
|
|
CG
|
A:GLU130
|
4.3
|
18.2
|
1.0
|
|
OD2
|
A:ASP122
|
4.3
|
18.9
|
1.0
|
|
CB
|
A:ASP126
|
4.4
|
22.9
|
1.0
|
|
N
|
A:GLU129
|
4.4
|
17.8
|
1.0
|
|
C
|
A:ASP122
|
4.5
|
17.8
|
1.0
|
|
N
|
A:GLU130
|
4.5
|
15.9
|
1.0
|
|
N
|
A:GLY125
|
4.6
|
20.5
|
1.0
|
|
CA
|
A:GLU129
|
4.6
|
17.1
|
1.0
|
|
O
|
A:HOH977
|
4.6
|
22.2
|
1.0
|
|
C
|
A:GLU129
|
4.6
|
17.6
|
1.0
|
|
CB
|
A:ASP124
|
4.6
|
21.5
|
1.0
|
|
CA
|
A:ASP126
|
4.7
|
22.4
|
1.0
|
|
N
|
A:GLY127
|
4.8
|
22.4
|
1.0
|
|
CA
|
A:ASP124
|
4.8
|
20.7
|
1.0
|
|
C
|
A:ASP124
|
5.0
|
20.3
|
1.0
|
|
C
|
A:ASP126
|
5.0
|
22.5
|
1.0
|
|
Calcium binding site 3 out
of 6 in 9etn
Go back to
Calcium Binding Sites List in 9etn
Calcium binding site 3 out
of 6 in the Crystal Structure of Murine CRTAC1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of Murine CRTAC1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca703
b:22.6
occ:1.00
|
OD1
|
A:ASN302
|
2.3
|
23.4
|
1.0
|
|
O
|
A:LYS306
|
2.3
|
23.7
|
1.0
|
|
OD1
|
A:ASP300
|
2.4
|
22.1
|
1.0
|
|
O
|
A:HOH821
|
2.4
|
21.4
|
1.0
|
|
OD1
|
A:ASP308
|
2.5
|
19.3
|
1.0
|
|
OD1
|
A:ASP304
|
2.5
|
25.7
|
1.0
|
|
OD2
|
A:ASP308
|
2.5
|
19.5
|
1.0
|
|
CG
|
A:ASP308
|
2.8
|
18.4
|
1.0
|
|
CG
|
A:ASN302
|
3.4
|
23.4
|
1.0
|
|
CG
|
A:ASP304
|
3.4
|
26.2
|
1.0
|
|
C
|
A:LYS306
|
3.4
|
24.1
|
1.0
|
|
CG
|
A:ASP300
|
3.5
|
23.4
|
1.0
|
|
OD2
|
A:ASP304
|
3.8
|
26.4
|
1.0
|
|
ND2
|
A:ASN302
|
3.9
|
24.1
|
1.0
|
|
N
|
A:LYS306
|
4.0
|
25.2
|
1.0
|
|
CA
|
A:LYS306
|
4.1
|
25.8
|
1.0
|
|
CB
|
A:LYS306
|
4.2
|
28.7
|
1.0
|
|
CA
|
A:ASP300
|
4.2
|
21.0
|
1.0
|
|
CB
|
A:ASP300
|
4.3
|
22.9
|
1.0
|
|
CB
|
A:ASP308
|
4.3
|
17.6
|
1.0
|
|
OD2
|
A:ASP300
|
4.3
|
24.3
|
1.0
|
|
N
|
A:ASN302
|
4.4
|
22.4
|
1.0
|
|
N
|
A:ASP304
|
4.4
|
27.1
|
1.0
|
|
N
|
A:PHE301
|
4.4
|
19.8
|
1.0
|
|
N
|
A:VAL307
|
4.5
|
22.4
|
1.0
|
|
C
|
A:ASP300
|
4.5
|
20.3
|
1.0
|
|
N
|
A:ASP308
|
4.5
|
17.5
|
1.0
|
|
N
|
A:ARG303
|
4.6
|
23.5
|
1.0
|
|
CB
|
A:ASP304
|
4.6
|
27.2
|
1.0
|
|
CB
|
A:ASN302
|
4.7
|
22.7
|
1.0
|
|
C
|
A:VAL307
|
4.7
|
19.2
|
1.0
|
|
O
|
A:GLN323
|
4.7
|
31.6
|
1.0
|
|
N
|
A:GLN323
|
4.8
|
25.5
|
1.0
|
|
CA
|
A:VAL307
|
4.8
|
19.5
|
1.0
|
|
CD2
|
A:LEU322
|
4.9
|
23.1
|
1.0
|
|
CA
|
A:ASN302
|
4.9
|
22.3
|
1.0
|
|
CA
|
A:ASP308
|
4.9
|
17.5
|
1.0
|
|
CA
|
A:ASP304
|
4.9
|
27.4
|
1.0
|
|
C
|
A:ASN302
|
5.0
|
24.1
|
1.0
|
|
N
|
A:GLY305
|
5.0
|
26.4
|
1.0
|
|
Calcium binding site 4 out
of 6 in 9etn
Go back to
Calcium Binding Sites List in 9etn
Calcium binding site 4 out
of 6 in the Crystal Structure of Murine CRTAC1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structure of Murine CRTAC1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca704
b:20.1
occ:1.00
|
OD1
|
A:ASP357
|
2.2
|
24.8
|
1.0
|
|
OD1
|
A:ASP355
|
2.2
|
20.6
|
1.0
|
|
O
|
A:GLU359
|
2.3
|
21.8
|
1.0
|
|
OD1
|
A:ASP353
|
2.3
|
19.8
|
1.0
|
|
OE1
|
A:GLU361
|
2.3
|
20.0
|
1.0
|
|
OE2
|
A:GLU361
|
2.4
|
19.7
|
1.0
|
|
CD
|
A:GLU361
|
2.7
|
19.5
|
1.0
|
|
CG
|
A:ASP357
|
3.2
|
25.9
|
1.0
|
|
CG
|
A:ASP353
|
3.3
|
19.2
|
1.0
|
|
CG
|
A:ASP355
|
3.4
|
22.2
|
1.0
|
|
C
|
A:GLU359
|
3.4
|
21.0
|
1.0
|
|
OD2
|
A:ASP357
|
3.9
|
27.5
|
1.0
|
|
N
|
A:GLU359
|
3.9
|
22.5
|
1.0
|
|
OD2
|
A:ASP355
|
3.9
|
22.0
|
1.0
|
|
N
|
A:ASP357
|
3.9
|
22.2
|
1.0
|
|
OD2
|
A:ASP353
|
4.0
|
19.0
|
1.0
|
|
CA
|
A:ASP353
|
4.0
|
18.3
|
1.0
|
|
CA
|
A:GLU359
|
4.1
|
21.1
|
1.0
|
|
CB
|
A:ASP357
|
4.1
|
25.2
|
1.0
|
|
N
|
A:ASP355
|
4.2
|
20.8
|
1.0
|
|
CG
|
A:GLU361
|
4.2
|
19.3
|
1.0
|
|
CB
|
A:ASP353
|
4.2
|
18.9
|
1.0
|
|
N
|
A:PHE354
|
4.3
|
19.1
|
1.0
|
|
CB
|
A:GLU359
|
4.3
|
22.0
|
1.0
|
|
C
|
A:ASP353
|
4.3
|
19.3
|
1.0
|
|
NE
|
A:ARG379
|
4.4
|
22.9
|
1.0
|
|
CA
|
A:ASP357
|
4.5
|
24.0
|
1.0
|
|
N
|
A:LEU360
|
4.5
|
20.5
|
1.0
|
|
N
|
A:ASN356
|
4.5
|
20.6
|
1.0
|
|
N
|
A:GLU361
|
4.6
|
18.2
|
1.0
|
|
N
|
A:GLN358
|
4.6
|
24.2
|
1.0
|
|
CB
|
A:ASP355
|
4.6
|
21.8
|
1.0
|
|
C
|
A:LEU360
|
4.6
|
19.7
|
1.0
|
|
CA
|
A:LEU360
|
4.7
|
20.2
|
1.0
|
|
CA
|
A:ASP355
|
4.7
|
21.5
|
1.0
|
|
C
|
A:ASP355
|
4.7
|
21.2
|
1.0
|
|
C
|
A:ASP357
|
4.7
|
24.8
|
1.0
|
|
C
|
A:GLN358
|
5.0
|
23.9
|
1.0
|
|
Calcium binding site 5 out
of 6 in 9etn
Go back to
Calcium Binding Sites List in 9etn
Calcium binding site 5 out
of 6 in the Crystal Structure of Murine CRTAC1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Crystal Structure of Murine CRTAC1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca705
b:23.2
occ:1.00
|
O
|
A:MET418
|
2.3
|
19.0
|
1.0
|
|
OD1
|
A:ASP414
|
2.3
|
24.0
|
1.0
|
|
OD1
|
A:ASP416
|
2.4
|
22.2
|
1.0
|
|
OD1
|
A:ASP412
|
2.4
|
19.6
|
1.0
|
|
OD2
|
A:ASP420
|
2.4
|
20.9
|
1.0
|
|
O
|
A:HOH874
|
2.6
|
28.7
|
1.0
|
|
OD1
|
A:ASP420
|
2.6
|
22.9
|
1.0
|
|
CG
|
A:ASP420
|
2.8
|
21.6
|
1.0
|
|
CG
|
A:ASP416
|
3.4
|
25.5
|
1.0
|
|
CG
|
A:ASP414
|
3.4
|
23.8
|
1.0
|
|
CG
|
A:ASP412
|
3.5
|
19.9
|
1.0
|
|
C
|
A:MET418
|
3.5
|
19.6
|
1.0
|
|
OD2
|
A:ASP414
|
3.8
|
25.5
|
1.0
|
|
OD2
|
A:ASP416
|
3.9
|
27.9
|
1.0
|
|
CA
|
A:ASP412
|
4.1
|
20.2
|
1.0
|
|
O
|
A:HOH965
|
4.1
|
21.7
|
1.0
|
|
N
|
A:MET418
|
4.1
|
19.9
|
1.0
|
|
CA
|
A:MET418
|
4.2
|
21.4
|
1.0
|
|
CB
|
A:MET418
|
4.2
|
23.2
|
1.0
|
|
CB
|
A:ASP412
|
4.3
|
18.9
|
1.0
|
|
CB
|
A:ASP420
|
4.3
|
20.7
|
1.0
|
|
N
|
A:ASP416
|
4.3
|
25.4
|
1.0
|
|
OD2
|
A:ASP412
|
4.4
|
22.0
|
1.0
|
|
N
|
A:ASP414
|
4.4
|
22.3
|
1.0
|
|
N
|
A:ASP420
|
4.5
|
20.1
|
1.0
|
|
C
|
A:ASP412
|
4.5
|
21.6
|
1.0
|
|
C
|
A:LEU419
|
4.5
|
19.4
|
1.0
|
|
CB
|
A:ASP416
|
4.5
|
24.4
|
1.0
|
|
N
|
A:PHE413
|
4.5
|
22.0
|
1.0
|
|
N
|
A:LEU419
|
4.6
|
19.2
|
1.0
|
|
N
|
A:GLY415
|
4.6
|
23.2
|
1.0
|
|
CB
|
A:ASP414
|
4.6
|
24.3
|
1.0
|
|
CA
|
A:LEU419
|
4.8
|
18.5
|
1.0
|
|
CA
|
A:ASP414
|
4.9
|
23.8
|
1.0
|
|
CA
|
A:ASP416
|
4.9
|
24.0
|
1.0
|
|
O
|
A:LEU419
|
4.9
|
21.4
|
1.0
|
|
CA
|
A:ASP420
|
4.9
|
20.4
|
1.0
|
|
N
|
A:GLY417
|
4.9
|
18.4
|
1.0
|
|
C
|
A:ASP414
|
4.9
|
22.7
|
1.0
|
|
Calcium binding site 6 out
of 6 in 9etn
Go back to
Calcium Binding Sites List in 9etn
Calcium binding site 6 out
of 6 in the Crystal Structure of Murine CRTAC1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Crystal Structure of Murine CRTAC1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca706
b:28.4
occ:1.00
|
O
|
A:HOH831
|
2.3
|
23.1
|
1.0
|
|
OD1
|
A:ASN580
|
2.3
|
23.7
|
1.0
|
|
O
|
A:SER584
|
2.4
|
27.4
|
1.0
|
|
O
|
A:THR561
|
2.4
|
30.3
|
1.0
|
|
OD1
|
A:ASP560
|
2.5
|
31.0
|
1.0
|
|
O
|
A:THR581
|
2.5
|
27.5
|
1.0
|
|
OE2
|
A:GLU563
|
2.5
|
30.4
|
1.0
|
|
OD2
|
A:ASP560
|
3.1
|
31.4
|
1.0
|
|
CG
|
A:ASP560
|
3.1
|
30.9
|
1.0
|
|
CG
|
A:ASN580
|
3.4
|
27.0
|
1.0
|
|
C
|
A:SER584
|
3.4
|
30.2
|
1.0
|
|
CD
|
A:GLU563
|
3.5
|
30.1
|
1.0
|
|
N
|
A:SER584
|
3.5
|
29.6
|
1.0
|
|
C
|
A:THR561
|
3.6
|
31.1
|
1.0
|
|
C
|
A:THR581
|
3.7
|
29.9
|
1.0
|
|
OE1
|
A:GLU563
|
3.7
|
33.0
|
1.0
|
|
ND2
|
A:ASN580
|
3.8
|
30.6
|
1.0
|
|
CA
|
A:SER584
|
3.9
|
30.6
|
1.0
|
|
N
|
A:THR581
|
4.0
|
29.0
|
1.0
|
|
N
|
A:GLY583
|
4.0
|
29.1
|
1.0
|
|
C
|
A:GLY583
|
4.3
|
29.3
|
1.0
|
|
CA
|
A:ASN562
|
4.3
|
32.5
|
1.0
|
|
N
|
A:GLU563
|
4.4
|
31.5
|
1.0
|
|
N
|
A:ASN562
|
4.4
|
30.3
|
1.0
|
|
CA
|
A:THR581
|
4.5
|
29.3
|
1.0
|
|
N
|
A:THR561
|
4.5
|
32.8
|
1.0
|
|
O
|
A:GLY549
|
4.5
|
33.3
|
1.0
|
|
N
|
A:TYR585
|
4.6
|
30.4
|
1.0
|
|
CA
|
A:THR561
|
4.6
|
31.9
|
1.0
|
|
CB
|
A:ASP560
|
4.6
|
29.8
|
1.0
|
|
CA
|
A:GLY583
|
4.6
|
29.7
|
1.0
|
|
CB
|
A:ASN580
|
4.7
|
27.2
|
1.0
|
|
N
|
A:TYR582
|
4.7
|
31.4
|
1.0
|
|
C
|
A:TYR582
|
4.7
|
30.1
|
1.0
|
|
C
|
A:ASN580
|
4.8
|
28.7
|
1.0
|
|
CA
|
A:ASN580
|
4.8
|
28.0
|
1.0
|
|
OG1
|
A:THR581
|
4.8
|
27.1
|
1.0
|
|
CA
|
A:TYR582
|
4.8
|
29.9
|
1.0
|
|
CG
|
A:GLU563
|
4.9
|
30.3
|
1.0
|
|
C
|
A:ASN562
|
4.9
|
33.0
|
1.0
|
|
Reference:
J.Wouter Beugelink,
H.Hof,
B.J.C.Janssen.
CRTAC1 Has A Compact Beta-Propeller-Ttr Core Stabilized By Potassium Ions. J.Mol.Biol. 68712 2024.
ISSN: ESSN 1089-8638
PubMed: 39029889
DOI: 10.1016/J.JMB.2024.168712
Page generated: Sat Sep 28 09:30:13 2024
|
