Sodium in PDB 7dcs: Crystal Structure of HSF1 Dna-Binding Domain in Complex with 3-Site Hse Dna (23 Bp)
Protein crystallography data
The structure of Crystal Structure of HSF1 Dna-Binding Domain in Complex with 3-Site Hse Dna (23 Bp), PDB code: 7dcs
was solved by
F.Na,
L.Wei,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.88 /
2.40
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
86.72,
93.72,
142.37,
90,
90,
90
|
R / Rfree (%)
|
19.5 /
22.5
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of HSF1 Dna-Binding Domain in Complex with 3-Site Hse Dna (23 Bp)
(pdb code 7dcs). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 5 binding sites of Sodium where determined in the
Crystal Structure of HSF1 Dna-Binding Domain in Complex with 3-Site Hse Dna (23 Bp), PDB code: 7dcs:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
Sodium binding site 1 out
of 5 in 7dcs
Go back to
Sodium Binding Sites List in 7dcs
Sodium binding site 1 out
of 5 in the Crystal Structure of HSF1 Dna-Binding Domain in Complex with 3-Site Hse Dna (23 Bp)
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Crystal Structure of HSF1 Dna-Binding Domain in Complex with 3-Site Hse Dna (23 Bp) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na201
b:49.8
occ:1.00
|
O
|
A:ILE35
|
2.4
|
51.1
|
1.0
|
OG1
|
A:THR31
|
2.5
|
47.7
|
1.0
|
O
|
A:VAL26
|
2.5
|
50.1
|
1.0
|
O
|
A:ASP28
|
2.6
|
45.6
|
1.0
|
O
|
A:LEU25
|
2.8
|
38.4
|
1.0
|
OD1
|
A:ASP32
|
2.9
|
49.0
|
1.0
|
C
|
A:VAL26
|
3.2
|
43.6
|
1.0
|
C
|
A:ILE35
|
3.5
|
43.4
|
1.0
|
N
|
A:ASP32
|
3.6
|
54.1
|
1.0
|
C
|
A:THR31
|
3.6
|
54.5
|
1.0
|
C
|
A:ASP28
|
3.6
|
52.9
|
1.0
|
CB
|
A:THR31
|
3.7
|
54.6
|
1.0
|
CA
|
A:VAL26
|
3.7
|
32.7
|
1.0
|
N
|
A:ASP28
|
3.8
|
39.5
|
1.0
|
O
|
A:THR31
|
3.9
|
56.3
|
1.0
|
CA
|
A:ASP32
|
3.9
|
56.9
|
1.0
|
C
|
A:LEU25
|
3.9
|
38.0
|
1.0
|
CG2
|
A:ILE35
|
3.9
|
36.5
|
1.0
|
CG
|
A:ASP32
|
4.1
|
58.1
|
1.0
|
CA
|
A:THR31
|
4.1
|
54.2
|
1.0
|
CA
|
A:CYS36
|
4.1
|
44.4
|
1.0
|
CA
|
A:ASP28
|
4.1
|
47.7
|
1.0
|
O
|
A:HOH315
|
4.1
|
43.8
|
1.0
|
N
|
A:SER27
|
4.2
|
41.8
|
1.0
|
C
|
A:SER27
|
4.2
|
46.9
|
1.0
|
N
|
A:CYS36
|
4.2
|
39.9
|
1.0
|
N
|
A:VAL26
|
4.3
|
30.7
|
1.0
|
CB
|
A:ASP28
|
4.3
|
52.0
|
1.0
|
N
|
A:THR31
|
4.4
|
55.5
|
1.0
|
CB
|
A:CYS36
|
4.6
|
56.9
|
1.0
|
CA
|
A:ILE35
|
4.6
|
39.3
|
1.0
|
CB
|
A:ASP32
|
4.6
|
58.7
|
1.0
|
CA
|
A:SER27
|
4.6
|
42.0
|
1.0
|
CB
|
A:ILE35
|
4.7
|
40.5
|
1.0
|
N
|
A:PRO29
|
4.8
|
57.7
|
1.0
|
O
|
A:SER27
|
4.8
|
55.1
|
1.0
|
N
|
A:ILE35
|
4.9
|
40.5
|
1.0
|
CG2
|
A:THR31
|
4.9
|
61.6
|
1.0
|
|
Sodium binding site 2 out
of 5 in 7dcs
Go back to
Sodium Binding Sites List in 7dcs
Sodium binding site 2 out
of 5 in the Crystal Structure of HSF1 Dna-Binding Domain in Complex with 3-Site Hse Dna (23 Bp)
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Crystal Structure of HSF1 Dna-Binding Domain in Complex with 3-Site Hse Dna (23 Bp) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na201
b:32.6
occ:0.73
|
O
|
B:ASP28
|
2.4
|
57.7
|
1.0
|
OG1
|
B:THR31
|
2.4
|
55.4
|
1.0
|
O
|
B:ILE35
|
2.5
|
45.6
|
1.0
|
O
|
B:VAL26
|
2.6
|
39.8
|
1.0
|
O
|
B:LEU25
|
2.7
|
36.3
|
1.0
|
OD1
|
B:ASP32
|
2.9
|
56.7
|
1.0
|
C
|
B:VAL26
|
3.3
|
41.5
|
1.0
|
C
|
B:ASP28
|
3.4
|
57.1
|
1.0
|
N
|
B:ASP32
|
3.5
|
39.6
|
1.0
|
C
|
B:THR31
|
3.6
|
49.1
|
1.0
|
N
|
B:ASP28
|
3.6
|
47.0
|
1.0
|
CB
|
B:THR31
|
3.6
|
48.7
|
1.0
|
C
|
B:ILE35
|
3.7
|
46.8
|
1.0
|
CA
|
B:VAL26
|
3.8
|
37.2
|
1.0
|
C
|
B:LEU25
|
3.8
|
38.2
|
1.0
|
CA
|
B:ASP32
|
3.9
|
44.4
|
1.0
|
CA
|
B:ASP28
|
3.9
|
52.6
|
1.0
|
CG
|
B:ASP32
|
4.0
|
52.4
|
1.0
|
CA
|
B:THR31
|
4.0
|
53.8
|
1.0
|
O
|
B:THR31
|
4.0
|
55.0
|
1.0
|
C
|
B:SER27
|
4.1
|
42.0
|
1.0
|
N
|
B:SER27
|
4.1
|
41.0
|
1.0
|
CG2
|
B:ILE35
|
4.2
|
37.2
|
1.0
|
CA
|
B:CYS36
|
4.2
|
42.7
|
1.0
|
CB
|
B:ASP28
|
4.2
|
56.6
|
1.0
|
N
|
B:THR31
|
4.2
|
61.3
|
1.0
|
N
|
B:VAL26
|
4.3
|
37.6
|
1.0
|
N
|
B:CYS36
|
4.4
|
37.3
|
1.0
|
N
|
B:PRO29
|
4.5
|
57.9
|
1.0
|
CB
|
B:ASP32
|
4.6
|
39.0
|
1.0
|
CA
|
B:SER27
|
4.6
|
41.5
|
1.0
|
CB
|
B:CYS36
|
4.6
|
52.1
|
1.0
|
O
|
B:SER27
|
4.7
|
44.5
|
1.0
|
CA
|
B:ILE35
|
4.8
|
46.1
|
1.0
|
CG2
|
B:THR31
|
4.8
|
41.0
|
1.0
|
CA
|
B:PRO29
|
4.8
|
56.5
|
1.0
|
CB
|
B:ILE35
|
4.9
|
42.3
|
1.0
|
|
Sodium binding site 3 out
of 5 in 7dcs
Go back to
Sodium Binding Sites List in 7dcs
Sodium binding site 3 out
of 5 in the Crystal Structure of HSF1 Dna-Binding Domain in Complex with 3-Site Hse Dna (23 Bp)
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Crystal Structure of HSF1 Dna-Binding Domain in Complex with 3-Site Hse Dna (23 Bp) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na201
b:37.5
occ:0.73
|
O
|
C:ASP28
|
2.3
|
37.5
|
1.0
|
O
|
C:ILE35
|
2.4
|
42.5
|
1.0
|
OD1
|
C:ASP32
|
2.5
|
54.8
|
1.0
|
OG1
|
C:THR31
|
2.6
|
55.8
|
1.0
|
O
|
C:VAL26
|
2.8
|
45.9
|
1.0
|
O
|
C:LEU25
|
2.9
|
40.5
|
1.0
|
N
|
C:ASP32
|
3.3
|
51.4
|
1.0
|
C
|
C:ASP28
|
3.4
|
46.3
|
1.0
|
C
|
C:THR31
|
3.5
|
50.9
|
1.0
|
C
|
C:VAL26
|
3.5
|
44.9
|
1.0
|
CA
|
C:ASP32
|
3.6
|
49.7
|
1.0
|
C
|
C:ILE35
|
3.6
|
48.0
|
1.0
|
CG
|
C:ASP32
|
3.6
|
56.5
|
1.0
|
CB
|
C:THR31
|
3.7
|
54.7
|
1.0
|
N
|
C:ASP28
|
3.8
|
53.0
|
1.0
|
O
|
C:THR31
|
3.9
|
48.1
|
1.0
|
CA
|
C:THR31
|
4.0
|
53.9
|
1.0
|
C
|
C:LEU25
|
4.0
|
35.6
|
1.0
|
CA
|
C:VAL26
|
4.0
|
41.7
|
1.0
|
CA
|
C:ASP28
|
4.0
|
51.0
|
1.0
|
CA
|
C:CYS36
|
4.0
|
53.0
|
1.0
|
N
|
C:THR31
|
4.1
|
60.1
|
1.0
|
CB
|
C:ASP32
|
4.2
|
48.8
|
1.0
|
CG2
|
C:ILE35
|
4.3
|
46.6
|
1.0
|
CB
|
C:ASP28
|
4.3
|
54.6
|
1.0
|
N
|
C:CYS36
|
4.3
|
47.0
|
1.0
|
C
|
C:SER27
|
4.3
|
50.8
|
1.0
|
CB
|
C:CYS36
|
4.3
|
58.0
|
1.0
|
N
|
C:SER27
|
4.4
|
47.4
|
1.0
|
N
|
C:PRO29
|
4.4
|
44.7
|
1.0
|
N
|
C:VAL26
|
4.5
|
32.5
|
1.0
|
OD2
|
C:ASP32
|
4.6
|
64.0
|
1.0
|
CA
|
C:PRO29
|
4.6
|
52.5
|
1.0
|
CA
|
C:ILE35
|
4.8
|
50.8
|
1.0
|
O
|
C:SER27
|
4.8
|
53.0
|
1.0
|
CA
|
C:SER27
|
4.8
|
47.0
|
1.0
|
C
|
C:PRO29
|
4.9
|
61.2
|
1.0
|
C
|
C:ASP32
|
4.9
|
51.7
|
1.0
|
CG2
|
C:THR31
|
4.9
|
56.6
|
1.0
|
O
|
C:HOH304
|
4.9
|
49.9
|
1.0
|
|
Sodium binding site 4 out
of 5 in 7dcs
Go back to
Sodium Binding Sites List in 7dcs
Sodium binding site 4 out
of 5 in the Crystal Structure of HSF1 Dna-Binding Domain in Complex with 3-Site Hse Dna (23 Bp)
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Crystal Structure of HSF1 Dna-Binding Domain in Complex with 3-Site Hse Dna (23 Bp) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na201
b:33.9
occ:0.91
|
O
|
D:ILE35
|
2.4
|
38.8
|
1.0
|
O
|
D:ASP28
|
2.5
|
41.4
|
1.0
|
OD1
|
D:ASP32
|
2.5
|
40.5
|
1.0
|
O
|
D:VAL26
|
2.7
|
31.2
|
1.0
|
OG1
|
D:THR31
|
2.7
|
35.7
|
1.0
|
O
|
D:LEU25
|
3.0
|
33.5
|
1.0
|
C
|
D:VAL26
|
3.4
|
32.4
|
1.0
|
N
|
D:ASP32
|
3.4
|
28.9
|
1.0
|
C
|
D:ASP28
|
3.5
|
41.9
|
1.0
|
C
|
D:THR31
|
3.6
|
37.5
|
1.0
|
C
|
D:ILE35
|
3.6
|
32.4
|
1.0
|
CA
|
D:ASP32
|
3.6
|
32.3
|
1.0
|
CG
|
D:ASP32
|
3.7
|
39.0
|
1.0
|
N
|
D:ASP28
|
3.8
|
35.0
|
1.0
|
CB
|
D:THR31
|
3.9
|
37.7
|
1.0
|
CA
|
D:VAL26
|
3.9
|
28.7
|
1.0
|
O
|
D:THR31
|
4.0
|
43.2
|
1.0
|
CA
|
D:CYS36
|
4.1
|
33.5
|
1.0
|
C
|
D:LEU25
|
4.1
|
33.6
|
1.0
|
CA
|
D:ASP28
|
4.1
|
37.3
|
1.0
|
CA
|
D:THR31
|
4.1
|
38.8
|
1.0
|
CG2
|
D:ILE35
|
4.2
|
23.1
|
1.0
|
C
|
D:SER27
|
4.2
|
32.0
|
1.0
|
CB
|
D:ASP32
|
4.3
|
32.2
|
1.0
|
N
|
D:SER27
|
4.3
|
29.3
|
1.0
|
N
|
D:CYS36
|
4.3
|
29.9
|
1.0
|
N
|
D:THR31
|
4.3
|
42.9
|
1.0
|
CB
|
D:CYS36
|
4.4
|
41.2
|
1.0
|
CB
|
D:ASP28
|
4.5
|
33.6
|
1.0
|
N
|
D:VAL26
|
4.5
|
25.2
|
1.0
|
N
|
D:PRO29
|
4.6
|
39.5
|
1.0
|
CA
|
D:SER27
|
4.7
|
32.1
|
1.0
|
CA
|
D:ILE35
|
4.7
|
27.0
|
1.0
|
OD2
|
D:ASP32
|
4.7
|
43.3
|
1.0
|
O
|
D:SER27
|
4.8
|
37.0
|
1.0
|
CA
|
D:PRO29
|
4.8
|
38.0
|
1.0
|
C
|
D:ASP32
|
4.9
|
34.1
|
1.0
|
CB
|
D:ILE35
|
4.9
|
23.0
|
1.0
|
N
|
D:ILE35
|
5.0
|
37.5
|
1.0
|
|
Sodium binding site 5 out
of 5 in 7dcs
Go back to
Sodium Binding Sites List in 7dcs
Sodium binding site 5 out
of 5 in the Crystal Structure of HSF1 Dna-Binding Domain in Complex with 3-Site Hse Dna (23 Bp)
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of Crystal Structure of HSF1 Dna-Binding Domain in Complex with 3-Site Hse Dna (23 Bp) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Na201
b:60.1
occ:0.84
|
O
|
F:ASP28
|
2.3
|
68.7
|
1.0
|
O
|
F:ILE35
|
2.4
|
65.3
|
1.0
|
O
|
F:VAL26
|
2.5
|
65.5
|
1.0
|
OD1
|
F:ASP32
|
2.6
|
78.0
|
1.0
|
OG1
|
F:THR31
|
2.8
|
71.1
|
1.0
|
O
|
F:LEU25
|
3.0
|
60.5
|
1.0
|
C
|
F:VAL26
|
3.2
|
63.1
|
1.0
|
C
|
F:ASP28
|
3.4
|
73.7
|
1.0
|
C
|
F:ILE35
|
3.5
|
64.7
|
1.0
|
N
|
F:ASP32
|
3.6
|
72.2
|
1.0
|
N
|
F:ASP28
|
3.6
|
69.7
|
1.0
|
C
|
F:THR31
|
3.7
|
70.7
|
1.0
|
CG
|
F:ASP32
|
3.7
|
79.3
|
1.0
|
CA
|
F:ASP32
|
3.8
|
74.0
|
1.0
|
CA
|
F:VAL26
|
3.8
|
60.6
|
1.0
|
CA
|
F:ASP28
|
3.9
|
71.8
|
1.0
|
CA
|
F:CYS36
|
3.9
|
69.7
|
1.0
|
CG2
|
F:ILE35
|
4.0
|
72.4
|
1.0
|
C
|
F:SER27
|
4.0
|
67.5
|
1.0
|
CB
|
F:THR31
|
4.0
|
69.7
|
1.0
|
C
|
F:LEU25
|
4.0
|
62.6
|
1.0
|
O
|
F:THR31
|
4.1
|
66.5
|
1.0
|
N
|
F:SER27
|
4.1
|
60.3
|
1.0
|
N
|
F:CYS36
|
4.1
|
63.7
|
1.0
|
CA
|
F:THR31
|
4.3
|
71.9
|
1.0
|
CB
|
F:ASP28
|
4.3
|
72.8
|
1.0
|
O
|
F:HOH303
|
4.3
|
61.7
|
1.0
|
CB
|
F:ASP32
|
4.4
|
74.7
|
1.0
|
N
|
F:PRO29
|
4.4
|
76.9
|
1.0
|
N
|
F:VAL26
|
4.4
|
66.4
|
1.0
|
N
|
F:THR31
|
4.4
|
76.0
|
1.0
|
CA
|
F:SER27
|
4.4
|
62.5
|
1.0
|
CB
|
F:CYS36
|
4.5
|
79.4
|
1.0
|
O
|
F:SER27
|
4.5
|
68.8
|
1.0
|
CA
|
F:ILE35
|
4.6
|
66.7
|
1.0
|
CA
|
F:PRO29
|
4.7
|
76.5
|
1.0
|
CB
|
F:ILE35
|
4.7
|
70.8
|
1.0
|
OD2
|
F:ASP32
|
4.7
|
83.6
|
1.0
|
CG1
|
F:ILE35
|
4.9
|
76.1
|
1.0
|
C
|
F:PRO29
|
5.0
|
79.6
|
1.0
|
|
Reference:
F.Na,
L.Wei.
Crystal Structure of HSF1 Dna-Binding Domain in Complex with 3-Site Hse Dna (23 Bp) To Be Published.
Page generated: Tue Oct 8 16:32:07 2024
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