Sodium in PDB 8sjj: X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil
Protein crystallography data
The structure of X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil, PDB code: 8sjj
was solved by
I.A.Cavini,
H.M.Pereira,
R.C.Garratt,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
91.29 /
1.78
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
34.934,
50.811,
91.558,
90,
94.36,
90
|
R / Rfree (%)
|
22.1 /
28.6
|
Sodium Binding Sites:
The binding sites of Sodium atom in the X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil
(pdb code 8sjj). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 8 binding sites of Sodium where determined in the
X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil, PDB code: 8sjj:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Sodium binding site 1 out
of 8 in 8sjj
Go back to
Sodium Binding Sites List in 8sjj
Sodium binding site 1 out
of 8 in the X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na101
b:52.4
occ:1.00
|
O
|
A:GLN41
|
2.3
|
29.3
|
1.0
|
CG2
|
A:ILE44
|
3.2
|
29.9
|
1.0
|
C
|
A:GLN41
|
3.4
|
29.2
|
1.0
|
CB
|
A:ILE44
|
3.4
|
29.2
|
1.0
|
N
|
A:ARG45
|
3.5
|
29.1
|
1.0
|
CA
|
A:GLN41
|
3.8
|
29.4
|
1.0
|
CB
|
A:ARG45
|
3.9
|
33.4
|
1.0
|
CB
|
A:GLN41
|
4.0
|
32.5
|
1.0
|
O
|
A:HOH246
|
4.1
|
56.5
|
1.0
|
C
|
A:ILE44
|
4.1
|
28.8
|
1.0
|
CA
|
A:ARG45
|
4.1
|
29.8
|
1.0
|
CA
|
A:ILE44
|
4.2
|
28.4
|
1.0
|
N
|
A:GLU42
|
4.6
|
28.6
|
1.0
|
CG1
|
A:ILE44
|
4.6
|
30.1
|
1.0
|
N
|
A:ILE44
|
4.7
|
27.8
|
1.0
|
CD1
|
A:ILE44
|
4.7
|
31.5
|
1.0
|
CG
|
A:GLN41
|
4.7
|
37.7
|
1.0
|
CG
|
A:ARG45
|
4.8
|
39.4
|
1.0
|
O
|
A:ILE44
|
5.0
|
28.9
|
1.0
|
|
Sodium binding site 2 out
of 8 in 8sjj
Go back to
Sodium Binding Sites List in 8sjj
Sodium binding site 2 out
of 8 in the X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na102
b:47.0
occ:1.00
|
O
|
A:HOH247
|
2.6
|
52.2
|
1.0
|
NH1
|
A:ARG10
|
3.1
|
37.6
|
1.0
|
O
|
A:HOH244
|
3.8
|
60.8
|
1.0
|
CD
|
A:ARG10
|
3.8
|
35.2
|
1.0
|
CZ
|
A:ARG10
|
4.2
|
39.5
|
1.0
|
O
|
A:HOH224
|
4.3
|
32.3
|
1.0
|
NE
|
A:ARG10
|
4.4
|
37.7
|
1.0
|
CD
|
A:ARG14
|
4.6
|
36.1
|
1.0
|
CB
|
A:ARG10
|
4.7
|
29.5
|
1.0
|
NH1
|
A:ARG14
|
4.8
|
41.6
|
1.0
|
CG
|
A:ARG10
|
4.9
|
32.9
|
1.0
|
|
Sodium binding site 3 out
of 8 in 8sjj
Go back to
Sodium Binding Sites List in 8sjj
Sodium binding site 3 out
of 8 in the X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na102
b:54.5
occ:1.00
|
NZ
|
B:LYS51
|
3.4
|
39.9
|
1.0
|
CE
|
B:LYS51
|
4.1
|
37.1
|
1.0
|
CD
|
B:LYS51
|
4.7
|
31.6
|
1.0
|
|
Sodium binding site 4 out
of 8 in 8sjj
Go back to
Sodium Binding Sites List in 8sjj
Sodium binding site 4 out
of 8 in the X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na102
b:45.8
occ:1.00
|
O
|
C:HOH247
|
2.4
|
45.8
|
1.0
|
O
|
C:ILE68
|
2.4
|
53.8
|
1.0
|
C
|
C:ILE68
|
3.6
|
53.7
|
1.0
|
CA
|
C:LEU69
|
4.1
|
53.6
|
1.0
|
N
|
C:LEU69
|
4.3
|
53.4
|
1.0
|
CB
|
C:LEU69
|
4.6
|
53.6
|
1.0
|
CA
|
C:ILE68
|
4.8
|
53.7
|
1.0
|
CG2
|
C:ILE68
|
4.8
|
54.9
|
1.0
|
|
Sodium binding site 5 out
of 8 in 8sjj
Go back to
Sodium Binding Sites List in 8sjj
Sodium binding site 5 out
of 8 in the X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na103
b:49.9
occ:1.00
|
O
|
C:HOH202
|
2.2
|
36.4
|
1.0
|
O
|
C:HOH211
|
3.1
|
50.0
|
1.0
|
CG
|
C:GLU18
|
3.9
|
33.2
|
1.0
|
CB
|
C:GLN21
|
4.2
|
28.8
|
1.0
|
CG
|
C:GLN21
|
4.2
|
33.5
|
1.0
|
O
|
C:GLU18
|
4.3
|
25.9
|
1.0
|
OE1
|
C:GLU18
|
4.4
|
40.5
|
1.0
|
CA
|
C:GLU18
|
4.5
|
26.5
|
1.0
|
CB
|
C:GLU18
|
4.6
|
28.3
|
1.0
|
CD
|
C:GLU18
|
4.6
|
39.8
|
1.0
|
C
|
C:GLU18
|
4.9
|
25.7
|
1.0
|
|
Sodium binding site 6 out
of 8 in 8sjj
Go back to
Sodium Binding Sites List in 8sjj
Sodium binding site 6 out
of 8 in the X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 6 of X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na101
b:70.7
occ:1.00
|
O
|
D:HOH207
|
2.6
|
43.2
|
1.0
|
NZ
|
D:LYS10
|
3.1
|
47.3
|
1.0
|
CE
|
D:MET7
|
3.8
|
39.7
|
1.0
|
CB
|
D:GLU6
|
3.9
|
34.5
|
1.0
|
O
|
D:GLN3
|
4.0
|
35.3
|
1.0
|
N
|
D:MET7
|
4.0
|
28.5
|
1.0
|
OE1
|
D:GLU6
|
4.1
|
57.1
|
1.0
|
C
|
D:GLU6
|
4.3
|
28.9
|
1.0
|
CA
|
D:MET7
|
4.4
|
29.1
|
1.0
|
CB
|
D:MET7
|
4.5
|
31.4
|
1.0
|
CE
|
D:LYS10
|
4.6
|
44.1
|
1.0
|
CA
|
D:GLU6
|
4.7
|
29.6
|
1.0
|
SD
|
D:MET7
|
4.8
|
42.3
|
1.0
|
C
|
D:GLN3
|
4.9
|
34.7
|
1.0
|
CA
|
D:GLN3
|
4.9
|
35.6
|
1.0
|
O
|
D:GLU6
|
4.9
|
28.0
|
1.0
|
CG
|
D:GLU6
|
5.0
|
43.9
|
1.0
|
CD
|
D:GLU6
|
5.0
|
55.1
|
1.0
|
|
Sodium binding site 7 out
of 8 in 8sjj
Go back to
Sodium Binding Sites List in 8sjj
Sodium binding site 7 out
of 8 in the X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 7 of X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na102
b:36.8
occ:1.00
|
O
|
D:HOH277
|
2.6
|
28.9
|
1.0
|
O
|
D:HOH236
|
2.7
|
35.7
|
1.0
|
O
|
D:LYS10
|
2.9
|
26.5
|
1.0
|
CG
|
D:LYS10
|
3.6
|
33.7
|
1.0
|
N
|
D:GLN14
|
3.7
|
22.3
|
1.0
|
C
|
D:LYS10
|
3.7
|
25.1
|
1.0
|
CA
|
D:LYS10
|
3.8
|
25.2
|
1.0
|
CG1
|
D:VAL13
|
3.8
|
24.1
|
1.0
|
CB
|
D:VAL13
|
3.8
|
23.1
|
1.0
|
CB
|
D:GLN14
|
3.9
|
24.6
|
1.0
|
OE1
|
D:GLN14
|
4.0
|
41.0
|
1.0
|
CA
|
D:GLN14
|
4.2
|
22.8
|
1.0
|
CB
|
D:LYS10
|
4.2
|
28.1
|
1.0
|
C
|
D:VAL13
|
4.3
|
23.0
|
1.0
|
O
|
D:HOH274
|
4.5
|
40.3
|
1.0
|
O
|
D:HOH270
|
4.6
|
38.9
|
1.0
|
CA
|
D:VAL13
|
4.6
|
22.4
|
1.0
|
CD
|
D:GLN14
|
4.7
|
37.8
|
1.0
|
CD
|
D:LYS10
|
4.9
|
39.0
|
1.0
|
CG
|
D:GLN14
|
4.9
|
30.9
|
1.0
|
CG2
|
D:VAL13
|
4.9
|
23.9
|
1.0
|
O
|
D:VAL9
|
5.0
|
24.1
|
1.0
|
|
Sodium binding site 8 out
of 8 in 8sjj
Go back to
Sodium Binding Sites List in 8sjj
Sodium binding site 8 out
of 8 in the X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 8 of X-Ray Structure of the Metastable SEPT14-SEPT7 Heterodimeric Coiled Coil within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na103
b:42.3
occ:1.00
|
O
|
D:ILE61
|
2.6
|
20.2
|
1.0
|
C
|
D:ILE61
|
3.7
|
20.7
|
1.0
|
CA
|
D:LEU62
|
3.9
|
23.1
|
1.0
|
C
|
D:GLN64
|
3.9
|
36.6
|
1.0
|
O
|
D:LEU62
|
3.9
|
25.8
|
1.0
|
C
|
D:LEU62
|
3.9
|
25.5
|
1.0
|
N
|
D:GLN64
|
4.1
|
32.4
|
1.0
|
N
|
D:LEU62
|
4.2
|
20.1
|
1.0
|
CA
|
D:GLN64
|
4.3
|
35.0
|
1.0
|
O
|
D:HOH203
|
4.4
|
45.8
|
1.0
|
CB
|
D:GLN64
|
4.4
|
37.2
|
1.0
|
N
|
D:GLU63
|
4.7
|
26.2
|
1.0
|
CG2
|
D:ILE61
|
4.7
|
21.9
|
1.0
|
CA
|
D:ILE61
|
4.9
|
20.8
|
1.0
|
O
|
D:GLN64
|
4.9
|
37.5
|
1.0
|
|
Reference:
I.A.Cavini,
A.J.Winter,
H.D'muniz Pereira,
D.N.Woolfson,
M.P.Crump,
R.C.Garratt.
X-Ray Structure of the Metastable SEPT14-SEPT7 Coiled Coil Reveals A Hendecad Region Crucial For Heterodimerization. Acta Crystallogr D Struct 2023BIOL.
ISSN: ISSN 2059-7983
PubMed: 37712436
DOI: 10.1107/S2059798323006514
Page generated: Wed Oct 9 13:30:26 2024
|