Calcium in PDB 5d43: Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form
Protein crystallography data
The structure of Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form, PDB code: 5d43
was solved by
J.H.Park,
S.Y.Kim,
D.S.Kim,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
46.89 /
2.82
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
49.750,
72.061,
62.248,
90.00,
97.26,
90.00
|
R / Rfree (%)
|
27.4 /
32.9
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form
(pdb code 5d43). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the
Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form, PDB code: 5d43:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 5d43
Go back to
Calcium Binding Sites List in 5d43
Calcium binding site 1 out
of 8 in the Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1201
b:84.4
occ:1.00
|
O
|
A:THR47
|
2.5
|
77.8
|
1.0
|
OG
|
A:SER45
|
2.5
|
75.2
|
1.0
|
OD1
|
A:ASP41
|
2.7
|
85.5
|
1.0
|
OD1
|
A:ASP43
|
3.4
|
93.9
|
1.0
|
CG
|
A:ASP43
|
3.7
|
94.6
|
1.0
|
C
|
A:THR47
|
3.7
|
76.0
|
1.0
|
CB
|
A:ASP43
|
3.8
|
93.6
|
1.0
|
CB
|
A:SER45
|
3.9
|
76.7
|
1.0
|
CG
|
A:ASP41
|
3.9
|
86.3
|
1.0
|
OG1
|
A:THR47
|
3.9
|
74.4
|
1.0
|
OE1
|
A:GLU52
|
4.3
|
83.5
|
1.0
|
OD2
|
A:ASP43
|
4.4
|
95.1
|
1.0
|
N
|
A:ASP43
|
4.5
|
94.1
|
1.0
|
N
|
A:THR47
|
4.5
|
72.9
|
1.0
|
CA
|
A:THR47
|
4.5
|
74.9
|
1.0
|
N
|
A:SER45
|
4.6
|
78.7
|
1.0
|
N
|
A:ILE48
|
4.6
|
76.5
|
1.0
|
OD2
|
A:ASP41
|
4.6
|
84.7
|
1.0
|
CA
|
A:ILE48
|
4.7
|
78.8
|
1.0
|
CB
|
A:THR47
|
4.7
|
74.8
|
1.0
|
CA
|
A:ASP43
|
4.8
|
93.0
|
1.0
|
CA
|
A:SER45
|
4.8
|
77.7
|
1.0
|
CA
|
A:ASP41
|
4.8
|
85.9
|
1.0
|
CB
|
A:ASP41
|
4.9
|
86.8
|
1.0
|
N
|
A:SER42
|
5.0
|
89.5
|
1.0
|
|
Calcium binding site 2 out
of 8 in 5d43
Go back to
Calcium Binding Sites List in 5d43
Calcium binding site 2 out
of 8 in the Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1202
b:75.2
occ:1.00
|
O
|
A:VAL76
|
2.4
|
96.8
|
1.0
|
OD2
|
A:ASP88
|
2.8
|
51.6
|
1.0
|
OD1
|
A:ASP88
|
3.4
|
54.0
|
1.0
|
CG
|
A:ASP88
|
3.5
|
52.3
|
1.0
|
C
|
A:VAL76
|
3.6
|
97.8
|
1.0
|
CA
|
A:ASP77
|
4.2
|
0.4
|
1.0
|
N
|
A:ASP77
|
4.3
|
0.2
|
1.0
|
CB
|
A:ASP77
|
4.3
|
0.7
|
1.0
|
OD1
|
A:ASP77
|
4.5
|
0.3
|
1.0
|
CA
|
A:VAL76
|
4.7
|
96.5
|
1.0
|
O
|
A:LYS83
|
4.9
|
73.3
|
1.0
|
CG
|
A:ASP77
|
4.9
|
0.5
|
1.0
|
CB
|
A:ASP88
|
4.9
|
50.4
|
1.0
|
|
Calcium binding site 3 out
of 8 in 5d43
Go back to
Calcium Binding Sites List in 5d43
Calcium binding site 3 out
of 8 in the Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1203
b:41.7
occ:1.00
|
O
|
A:LYS120
|
2.3
|
37.9
|
1.0
|
OD1
|
A:ASP114
|
2.4
|
36.6
|
1.0
|
OG1
|
A:THR118
|
2.5
|
44.0
|
1.0
|
OD1
|
A:ASN125
|
2.5
|
49.2
|
1.0
|
OD1
|
A:ASP116
|
2.6
|
44.4
|
1.0
|
CG
|
A:ASP116
|
3.4
|
43.3
|
1.0
|
OD2
|
A:ASP116
|
3.5
|
44.8
|
1.0
|
C
|
A:LYS120
|
3.6
|
38.8
|
1.0
|
CG
|
A:ASP114
|
3.6
|
35.7
|
1.0
|
CG
|
A:ASN125
|
3.6
|
49.3
|
1.0
|
CB
|
A:THR118
|
3.7
|
41.2
|
1.0
|
CG2
|
A:THR118
|
3.9
|
41.3
|
1.0
|
N
|
A:THR118
|
4.1
|
39.8
|
1.0
|
ND2
|
A:ASN125
|
4.2
|
50.8
|
1.0
|
OE1
|
A:GLU156
|
4.3
|
55.8
|
1.0
|
N
|
A:SER122
|
4.4
|
41.4
|
1.0
|
OD2
|
A:ASP114
|
4.4
|
34.9
|
1.0
|
N
|
A:LYS120
|
4.4
|
39.7
|
1.0
|
CB
|
A:ASP114
|
4.4
|
36.0
|
1.0
|
N
|
A:ILE121
|
4.4
|
38.3
|
1.0
|
CA
|
A:THR118
|
4.4
|
40.3
|
1.0
|
CA
|
A:ILE121
|
4.4
|
39.3
|
1.0
|
CA
|
A:ASP114
|
4.5
|
37.2
|
1.0
|
CA
|
A:LYS120
|
4.5
|
40.0
|
1.0
|
OG
|
A:SER122
|
4.7
|
41.0
|
1.0
|
CB
|
A:ASN125
|
4.7
|
49.2
|
1.0
|
N
|
A:GLU117
|
4.8
|
39.1
|
1.0
|
CB
|
A:ASP116
|
4.9
|
41.6
|
1.0
|
C
|
A:ILE121
|
4.9
|
40.1
|
1.0
|
CB
|
A:SER122
|
4.9
|
41.8
|
1.0
|
N
|
A:GLY119
|
5.0
|
39.9
|
1.0
|
|
Calcium binding site 4 out
of 8 in 5d43
Go back to
Calcium Binding Sites List in 5d43
Calcium binding site 4 out
of 8 in the Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1204
b:52.4
occ:1.00
|
O
|
A:GLU156
|
2.4
|
45.7
|
1.0
|
OD1
|
A:ASP152
|
2.5
|
60.8
|
1.0
|
OD1
|
A:ASP150
|
2.5
|
53.1
|
1.0
|
OE1
|
A:GLU161
|
2.6
|
45.3
|
1.0
|
OE2
|
A:GLU161
|
2.8
|
46.6
|
1.0
|
CD
|
A:GLU161
|
3.1
|
45.6
|
1.0
|
OD2
|
A:ASP154
|
3.1
|
58.3
|
1.0
|
OD1
|
A:ASP154
|
3.2
|
59.4
|
1.0
|
CG
|
A:ASP152
|
3.4
|
60.0
|
1.0
|
CG
|
A:ASP154
|
3.4
|
57.6
|
1.0
|
C
|
A:GLU156
|
3.6
|
46.2
|
1.0
|
CG
|
A:ASP150
|
3.6
|
52.7
|
1.0
|
ND2
|
A:ASN158
|
3.7
|
46.9
|
1.0
|
OD2
|
A:ASP152
|
3.7
|
59.8
|
1.0
|
CA
|
A:ASP150
|
4.2
|
52.4
|
1.0
|
CA
|
A:VAL157
|
4.3
|
43.2
|
1.0
|
N
|
A:ASN158
|
4.3
|
43.2
|
1.0
|
CB
|
A:ASP150
|
4.4
|
52.3
|
1.0
|
N
|
A:VAL157
|
4.4
|
43.9
|
1.0
|
N
|
A:GLU156
|
4.5
|
48.4
|
1.0
|
N
|
A:ASP154
|
4.5
|
55.7
|
1.0
|
N
|
A:ASP152
|
4.5
|
59.5
|
1.0
|
CG
|
A:ASN158
|
4.5
|
45.2
|
1.0
|
OD2
|
A:ASP150
|
4.6
|
52.3
|
1.0
|
CG
|
A:GLU161
|
4.6
|
44.2
|
1.0
|
CA
|
A:GLU156
|
4.6
|
48.0
|
1.0
|
N
|
A:GLY153
|
4.6
|
56.2
|
1.0
|
N
|
A:ARG151
|
4.7
|
55.8
|
1.0
|
CB
|
A:ASP152
|
4.7
|
59.7
|
1.0
|
CB
|
A:ASP154
|
4.7
|
55.4
|
1.0
|
C
|
A:ASP150
|
4.8
|
54.1
|
1.0
|
C
|
A:VAL157
|
4.8
|
43.1
|
1.0
|
CA
|
A:ASP152
|
5.0
|
59.0
|
1.0
|
|
Calcium binding site 5 out
of 8 in 5d43
Go back to
Calcium Binding Sites List in 5d43
Calcium binding site 5 out
of 8 in the Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1201
b:69.6
occ:1.00
|
O
|
B:THR47
|
2.4
|
51.2
|
1.0
|
OD1
|
B:ASP41
|
2.5
|
67.5
|
1.0
|
OG
|
B:SER45
|
2.6
|
61.3
|
1.0
|
O
|
B:HOH1303
|
2.6
|
37.6
|
1.0
|
O
|
B:HOH1301
|
2.8
|
67.4
|
1.0
|
OD1
|
B:ASP43
|
2.9
|
76.1
|
1.0
|
C
|
B:THR47
|
3.6
|
49.6
|
1.0
|
CG
|
B:ASP43
|
3.6
|
74.8
|
1.0
|
CG
|
B:ASP41
|
3.7
|
68.5
|
1.0
|
OD2
|
B:ASP43
|
3.7
|
74.6
|
1.0
|
CB
|
B:SER45
|
4.0
|
60.3
|
1.0
|
OG1
|
B:THR47
|
4.1
|
52.6
|
1.0
|
OD2
|
B:ASP41
|
4.5
|
66.7
|
1.0
|
CA
|
B:ASP41
|
4.5
|
74.9
|
1.0
|
N
|
B:THR47
|
4.5
|
51.0
|
1.0
|
N
|
B:ILE48
|
4.5
|
48.1
|
1.0
|
CA
|
B:THR47
|
4.5
|
50.4
|
1.0
|
OE2
|
B:GLU52
|
4.5
|
59.4
|
1.0
|
N
|
B:SER45
|
4.6
|
61.4
|
1.0
|
CA
|
B:ILE48
|
4.6
|
46.6
|
1.0
|
CB
|
B:ASP41
|
4.6
|
70.8
|
1.0
|
OE1
|
B:GLU52
|
4.7
|
60.9
|
1.0
|
CA
|
B:SER45
|
4.8
|
59.5
|
1.0
|
N
|
B:ASP43
|
4.8
|
76.5
|
1.0
|
N
|
B:SER42
|
4.9
|
77.6
|
1.0
|
CB
|
B:THR47
|
4.9
|
50.5
|
1.0
|
C
|
B:ASP41
|
4.9
|
76.5
|
1.0
|
CG2
|
B:ILE48
|
5.0
|
45.6
|
1.0
|
|
Calcium binding site 6 out
of 8 in 5d43
Go back to
Calcium Binding Sites List in 5d43
Calcium binding site 6 out
of 8 in the Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1202
b:37.1
occ:1.00
|
O
|
B:VAL76
|
2.4
|
59.8
|
1.0
|
OD2
|
B:ASP88
|
2.7
|
35.9
|
1.0
|
OD1
|
B:ASP88
|
2.9
|
37.4
|
1.0
|
CG
|
B:ASP88
|
3.2
|
36.2
|
1.0
|
C
|
B:VAL76
|
3.5
|
57.8
|
1.0
|
CB
|
B:ASP77
|
3.8
|
65.8
|
1.0
|
CA
|
B:ASP77
|
4.0
|
65.7
|
1.0
|
N
|
B:ASP77
|
4.1
|
61.6
|
1.0
|
OG
|
B:SER85
|
4.6
|
44.4
|
1.0
|
CB
|
B:ASP88
|
4.7
|
35.9
|
1.0
|
CA
|
B:VAL76
|
4.7
|
54.9
|
1.0
|
CG1
|
B:VAL76
|
4.8
|
54.7
|
1.0
|
|
Calcium binding site 7 out
of 8 in 5d43
Go back to
Calcium Binding Sites List in 5d43
Calcium binding site 7 out
of 8 in the Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1203
b:59.5
occ:1.00
|
O
|
B:LYS120
|
2.4
|
69.1
|
1.0
|
OD1
|
B:ASN125
|
2.5
|
70.2
|
1.0
|
OD1
|
B:ASP114
|
2.5
|
63.9
|
1.0
|
OG1
|
B:THR118
|
2.6
|
55.7
|
1.0
|
OD1
|
B:ASP116
|
2.6
|
62.3
|
1.0
|
OD2
|
B:ASP116
|
3.3
|
65.0
|
1.0
|
CG
|
B:ASP116
|
3.4
|
63.8
|
1.0
|
CG
|
B:ASN125
|
3.5
|
70.3
|
1.0
|
C
|
B:LYS120
|
3.6
|
67.5
|
1.0
|
CG
|
B:ASP114
|
3.7
|
63.1
|
1.0
|
CB
|
B:THR118
|
3.7
|
56.8
|
1.0
|
CG2
|
B:THR118
|
3.9
|
56.3
|
1.0
|
ND2
|
B:ASN125
|
4.0
|
70.8
|
1.0
|
N
|
B:THR118
|
4.3
|
56.4
|
1.0
|
N
|
B:SER122
|
4.4
|
71.4
|
1.0
|
CA
|
B:ILE121
|
4.4
|
67.8
|
1.0
|
N
|
B:ILE121
|
4.4
|
68.8
|
1.0
|
CB
|
B:ASP114
|
4.5
|
63.8
|
1.0
|
N
|
B:LYS120
|
4.5
|
63.5
|
1.0
|
CA
|
B:ASP114
|
4.5
|
63.4
|
1.0
|
OG
|
B:SER122
|
4.5
|
72.5
|
1.0
|
CA
|
B:THR118
|
4.5
|
56.4
|
1.0
|
OD2
|
B:ASP114
|
4.5
|
63.4
|
1.0
|
CA
|
B:LYS120
|
4.6
|
66.2
|
1.0
|
OE2
|
B:GLU156
|
4.7
|
79.3
|
1.0
|
CB
|
B:ASN125
|
4.7
|
70.0
|
1.0
|
CB
|
B:ASP116
|
4.8
|
62.7
|
1.0
|
C
|
B:ILE121
|
4.8
|
68.8
|
1.0
|
CB
|
B:SER122
|
4.9
|
72.8
|
1.0
|
N
|
B:GLY119
|
5.0
|
58.4
|
1.0
|
|
Calcium binding site 8 out
of 8 in 5d43
Go back to
Calcium Binding Sites List in 5d43
Calcium binding site 8 out
of 8 in the Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Crystal Structrue of Mouse Centrin 1 in Calcium-Saturated Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1204
b:63.4
occ:1.00
|
O
|
B:GLU156
|
2.2
|
64.5
|
1.0
|
OE1
|
B:GLU161
|
2.6
|
66.3
|
1.0
|
OD1
|
B:ASP150
|
2.7
|
80.3
|
1.0
|
OD1
|
B:ASP152
|
2.7
|
95.4
|
1.0
|
OD1
|
B:ASP154
|
3.0
|
73.5
|
1.0
|
OE2
|
B:GLU161
|
3.3
|
65.6
|
1.0
|
OD2
|
B:ASP154
|
3.3
|
73.4
|
1.0
|
CD
|
B:GLU161
|
3.3
|
65.7
|
1.0
|
C
|
B:GLU156
|
3.4
|
65.2
|
1.0
|
CG
|
B:ASP154
|
3.5
|
74.4
|
1.0
|
CG
|
B:ASP152
|
3.6
|
93.8
|
1.0
|
OD2
|
B:ASP152
|
3.7
|
93.2
|
1.0
|
CG
|
B:ASP150
|
3.8
|
80.1
|
1.0
|
N
|
B:ASN158
|
4.1
|
60.9
|
1.0
|
CA
|
B:VAL157
|
4.1
|
62.6
|
1.0
|
N
|
B:VAL157
|
4.2
|
62.8
|
1.0
|
CA
|
B:ASP150
|
4.4
|
76.1
|
1.0
|
N
|
B:GLU156
|
4.5
|
68.0
|
1.0
|
CB
|
B:ASP150
|
4.5
|
78.3
|
1.0
|
CA
|
B:GLU156
|
4.5
|
67.9
|
1.0
|
C
|
B:VAL157
|
4.6
|
61.4
|
1.0
|
OD2
|
B:ASP150
|
4.6
|
81.7
|
1.0
|
N
|
B:ASP154
|
4.7
|
79.8
|
1.0
|
OD1
|
B:ASN158
|
4.7
|
61.4
|
1.0
|
CG
|
B:GLU161
|
4.8
|
65.2
|
1.0
|
N
|
B:ARG151
|
4.8
|
79.4
|
1.0
|
CB
|
B:ASP154
|
4.8
|
75.8
|
1.0
|
CB
|
B:ASN158
|
4.8
|
60.2
|
1.0
|
N
|
B:GLY153
|
4.9
|
87.7
|
1.0
|
N
|
B:ASP152
|
4.9
|
88.8
|
1.0
|
C
|
B:ASP150
|
5.0
|
77.2
|
1.0
|
|
Reference:
S.Y.Kim,
D.S.Kim,
J.E.Hong,
J.H.Park.
Crystal Structure of Wild-Type Centrin 1 From Mus Musculus Occupied By CA2+ Biochemistry Mosc. V. 82 1129 2017.
ISSN: ISSN 0006-2979
DOI: 10.1134/S0006297917100054
Page generated: Sun Jul 14 17:46:46 2024
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