Potassium in PDB 4x10: Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide
Protein crystallography data
The structure of Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide, PDB code: 4x10
was solved by
L.J.Stroh,
T.Stehle,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
1.90
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
150.410,
96.060,
128.750,
90.00,
110.21,
90.00
|
R / Rfree (%)
|
16.4 /
19.6
|
Potassium Binding Sites:
The binding sites of Potassium atom in the Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide
(pdb code 4x10). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 7 binding sites of Potassium where determined in the
Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide, PDB code: 4x10:
Jump to Potassium binding site number:
1;
2;
3;
4;
5;
6;
7;
Potassium binding site 1 out
of 7 in 4x10
Go back to
Potassium Binding Sites List in 4x10
Potassium binding site 1 out
of 7 in the Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 1 of Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K305
b:27.2
occ:0.80
|
O
|
A:GLU68
|
2.7
|
37.5
|
1.0
|
O
|
A:HOH607
|
2.7
|
35.2
|
1.0
|
O
|
A:ARG161
|
2.7
|
24.8
|
1.0
|
O
|
A:HOH553
|
2.8
|
47.2
|
1.0
|
OG1
|
A:THR163
|
2.8
|
30.0
|
1.0
|
O
|
A:ASP70
|
2.9
|
21.6
|
1.0
|
N
|
A:THR163
|
3.6
|
23.2
|
1.0
|
CB
|
A:THR163
|
3.7
|
27.4
|
1.0
|
C
|
A:GLU68
|
3.7
|
37.1
|
1.0
|
C
|
A:ASP70
|
3.9
|
23.8
|
1.0
|
N
|
A:ASP70
|
3.9
|
24.0
|
1.0
|
C
|
A:ARG161
|
3.9
|
23.2
|
1.0
|
C
|
A:SER69
|
3.9
|
25.0
|
1.0
|
CA
|
A:SER69
|
4.1
|
26.4
|
1.0
|
CA
|
A:THR163
|
4.2
|
24.9
|
1.0
|
C
|
A:THR162
|
4.2
|
23.9
|
1.0
|
OE1
|
A:GLU68
|
4.3
|
64.8
|
1.0
|
N
|
A:SER69
|
4.3
|
25.6
|
1.0
|
CA
|
A:THR162
|
4.4
|
22.4
|
1.0
|
O
|
A:SER69
|
4.4
|
26.7
|
1.0
|
CA
|
A:ASP70
|
4.5
|
22.6
|
1.0
|
N
|
A:THR162
|
4.6
|
22.4
|
1.0
|
CB
|
A:SER71
|
4.7
|
28.3
|
1.0
|
CA
|
A:GLU68
|
4.9
|
40.3
|
1.0
|
N
|
A:SER71
|
4.9
|
24.1
|
1.0
|
O
|
A:PHE67
|
4.9
|
35.3
|
1.0
|
O
|
A:HOH601
|
4.9
|
43.5
|
1.0
|
CA
|
A:ARG161
|
5.0
|
22.9
|
1.0
|
|
Potassium binding site 2 out
of 7 in 4x10
Go back to
Potassium Binding Sites List in 4x10
Potassium binding site 2 out
of 7 in the Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 2 of Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K306
b:30.9
occ:1.00
|
O
|
A:HOH523
|
2.4
|
36.4
|
1.0
|
O
|
A:HOH593
|
2.4
|
32.8
|
1.0
|
O
|
A:HOH530
|
2.6
|
18.7
|
1.0
|
OE2
|
E:GLU40
|
2.6
|
29.1
|
1.0
|
O
|
A:THR205
|
2.7
|
17.7
|
1.0
|
O
|
A:HOH486
|
2.8
|
42.7
|
1.0
|
OE1
|
E:GLU40
|
3.0
|
33.6
|
1.0
|
CD
|
E:GLU40
|
3.2
|
30.0
|
1.0
|
C
|
A:THR205
|
3.5
|
19.8
|
1.0
|
CA
|
A:THR205
|
4.2
|
19.2
|
1.0
|
OE1
|
A:GLU208
|
4.3
|
56.5
|
1.0
|
N
|
A:ARG206
|
4.4
|
17.2
|
1.0
|
CD
|
A:GLU208
|
4.4
|
48.4
|
1.0
|
OH
|
E:TYR277
|
4.5
|
20.2
|
1.0
|
CA
|
A:ARG206
|
4.5
|
18.6
|
1.0
|
CG
|
A:GLU208
|
4.5
|
35.2
|
1.0
|
O
|
E:HOH479
|
4.5
|
32.4
|
1.0
|
CG
|
E:GLU40
|
4.7
|
27.6
|
1.0
|
O
|
A:ARG206
|
4.8
|
16.6
|
1.0
|
O
|
A:PRO204
|
4.9
|
16.1
|
1.0
|
OE2
|
A:GLU208
|
5.0
|
49.1
|
1.0
|
O
|
A:HOH511
|
5.0
|
29.8
|
1.0
|
|
Potassium binding site 3 out
of 7 in 4x10
Go back to
Potassium Binding Sites List in 4x10
Potassium binding site 3 out
of 7 in the Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 3 of Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K310
b:24.2
occ:0.80
|
OG1
|
B:THR163
|
2.6
|
23.2
|
1.0
|
O
|
B:GLU68
|
2.6
|
22.6
|
1.0
|
O
|
B:ARG161
|
2.7
|
21.7
|
1.0
|
O
|
B:HOH568
|
2.8
|
39.8
|
1.0
|
O
|
B:ASP70
|
2.9
|
20.7
|
1.0
|
O
|
B:HOH547
|
3.0
|
43.9
|
1.0
|
OG
|
B:SER71
|
3.4
|
36.4
|
1.0
|
N
|
B:THR163
|
3.6
|
21.5
|
1.0
|
CB
|
B:THR163
|
3.6
|
25.3
|
1.0
|
C
|
B:GLU68
|
3.7
|
23.8
|
1.0
|
C
|
B:ASP70
|
3.9
|
21.0
|
1.0
|
C
|
B:ARG161
|
4.0
|
21.0
|
1.0
|
N
|
B:ASP70
|
4.0
|
19.3
|
1.0
|
C
|
B:SER69
|
4.1
|
21.9
|
1.0
|
CA
|
B:THR163
|
4.2
|
23.2
|
1.0
|
C
|
B:THR162
|
4.2
|
22.6
|
1.0
|
CA
|
B:SER69
|
4.3
|
21.7
|
1.0
|
N
|
B:SER69
|
4.4
|
21.7
|
1.0
|
CA
|
B:THR162
|
4.4
|
20.2
|
1.0
|
CA
|
B:ASP70
|
4.6
|
19.8
|
1.0
|
CB
|
B:SER71
|
4.7
|
27.5
|
1.0
|
N
|
B:THR162
|
4.7
|
19.9
|
1.0
|
CA
|
B:GLU68
|
4.7
|
24.5
|
1.0
|
O
|
B:SER69
|
4.7
|
22.7
|
1.0
|
O
|
B:HOH499
|
4.7
|
26.7
|
1.0
|
N
|
B:SER71
|
4.7
|
22.0
|
1.0
|
CA
|
B:SER71
|
4.8
|
24.2
|
1.0
|
O
|
B:HOH584
|
4.9
|
42.6
|
1.0
|
O
|
B:PHE67
|
4.9
|
19.4
|
1.0
|
CG2
|
B:THR163
|
4.9
|
26.8
|
1.0
|
|
Potassium binding site 4 out
of 7 in 4x10
Go back to
Potassium Binding Sites List in 4x10
Potassium binding site 4 out
of 7 in the Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 4 of Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K309
b:27.1
occ:0.80
|
O
|
C:HOH514
|
2.5
|
40.7
|
1.0
|
O
|
C:ARG161
|
2.7
|
20.2
|
1.0
|
OG1
|
C:THR163
|
2.8
|
23.3
|
1.0
|
O
|
C:GLU68
|
2.9
|
21.9
|
1.0
|
O
|
C:HOH592
|
2.9
|
28.4
|
1.0
|
O
|
C:ASP70
|
2.9
|
18.8
|
1.0
|
OG
|
C:SER71
|
3.6
|
23.6
|
0.5
|
N
|
C:THR163
|
3.6
|
20.5
|
1.0
|
C
|
C:SER69
|
3.8
|
20.9
|
1.0
|
CB
|
C:THR163
|
3.8
|
22.1
|
1.0
|
CA
|
C:SER69
|
3.9
|
21.4
|
1.0
|
C
|
C:ARG161
|
3.9
|
20.9
|
1.0
|
C
|
C:ASP70
|
3.9
|
19.6
|
1.0
|
C
|
C:GLU68
|
3.9
|
22.9
|
1.0
|
N
|
C:ASP70
|
4.0
|
20.2
|
1.0
|
O
|
C:SER69
|
4.1
|
21.7
|
1.0
|
C
|
C:THR162
|
4.2
|
19.9
|
1.0
|
CA
|
C:THR163
|
4.3
|
20.3
|
1.0
|
N
|
C:SER69
|
4.4
|
21.3
|
1.0
|
CA
|
C:THR162
|
4.4
|
18.5
|
1.0
|
CA
|
C:ASP70
|
4.6
|
19.2
|
1.0
|
O
|
C:HOH503
|
4.6
|
41.3
|
1.0
|
N
|
C:THR162
|
4.6
|
18.6
|
1.0
|
OE2
|
C:GLU68
|
4.6
|
50.6
|
1.0
|
O
|
C:HOH431
|
4.8
|
40.4
|
1.0
|
CB
|
C:SER71
|
4.8
|
20.8
|
0.5
|
CB
|
C:SER71
|
4.8
|
21.9
|
0.5
|
N
|
C:SER71
|
4.9
|
19.9
|
1.0
|
|
Potassium binding site 5 out
of 7 in 4x10
Go back to
Potassium Binding Sites List in 4x10
Potassium binding site 5 out
of 7 in the Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 5 of Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:K308
b:27.2
occ:0.80
|
O
|
D:ARG161
|
2.7
|
19.7
|
1.0
|
OG1
|
D:THR163
|
2.8
|
21.5
|
1.0
|
O
|
D:GLU68
|
2.9
|
23.1
|
1.0
|
O
|
D:ASP70
|
2.9
|
18.0
|
1.0
|
O
|
D:HOH559
|
2.9
|
29.5
|
1.0
|
OG
|
D:SER71
|
3.5
|
22.2
|
0.4
|
N
|
D:THR163
|
3.6
|
20.1
|
1.0
|
C
|
D:SER69
|
3.7
|
20.6
|
1.0
|
CB
|
D:THR163
|
3.7
|
22.2
|
1.0
|
CA
|
D:SER69
|
3.8
|
21.4
|
1.0
|
C
|
D:ASP70
|
3.9
|
19.8
|
1.0
|
C
|
D:ARG161
|
3.9
|
18.8
|
1.0
|
C
|
D:GLU68
|
3.9
|
22.8
|
1.0
|
N
|
D:ASP70
|
3.9
|
20.0
|
1.0
|
O
|
D:SER69
|
4.0
|
20.2
|
1.0
|
C
|
D:THR162
|
4.2
|
19.6
|
1.0
|
CA
|
D:THR163
|
4.2
|
21.1
|
1.0
|
N
|
D:SER69
|
4.3
|
21.8
|
1.0
|
CA
|
D:THR162
|
4.4
|
17.9
|
1.0
|
O
|
D:HOH440
|
4.4
|
41.9
|
1.0
|
CA
|
D:ASP70
|
4.5
|
19.4
|
1.0
|
OE2
|
D:GLU68
|
4.5
|
50.2
|
1.0
|
N
|
D:THR162
|
4.6
|
17.1
|
1.0
|
CB
|
D:SER71
|
4.7
|
21.4
|
0.6
|
CB
|
D:SER71
|
4.8
|
21.5
|
0.4
|
N
|
D:SER71
|
4.8
|
19.7
|
1.0
|
|
Potassium binding site 6 out
of 7 in 4x10
Go back to
Potassium Binding Sites List in 4x10
Potassium binding site 6 out
of 7 in the Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 6 of Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:K309
b:26.6
occ:0.80
|
O
|
E:HOH480
|
2.3
|
30.7
|
1.0
|
O
|
E:HOH574
|
2.3
|
33.2
|
1.0
|
O
|
E:HOH510
|
2.3
|
37.1
|
1.0
|
OE2
|
D:GLU40
|
2.6
|
27.3
|
1.0
|
O
|
E:HOH449
|
2.6
|
48.9
|
1.0
|
O
|
E:HOH491
|
2.7
|
21.1
|
1.0
|
O
|
E:THR205
|
2.7
|
18.2
|
1.0
|
OE1
|
D:GLU40
|
2.8
|
31.2
|
1.0
|
CD
|
D:GLU40
|
3.1
|
29.4
|
1.0
|
C
|
E:THR205
|
3.6
|
18.0
|
1.0
|
OE1
|
E:GLU208
|
3.7
|
52.8
|
1.0
|
CA
|
E:THR205
|
4.3
|
16.8
|
1.0
|
N
|
E:ARG206
|
4.4
|
16.8
|
1.0
|
CD
|
E:GLU208
|
4.5
|
54.0
|
1.0
|
OH
|
D:TYR277
|
4.5
|
20.1
|
1.0
|
CG
|
E:GLU208
|
4.5
|
36.8
|
1.0
|
CA
|
E:ARG206
|
4.6
|
16.9
|
1.0
|
CG
|
D:GLU40
|
4.6
|
28.6
|
1.0
|
O
|
D:HOH497
|
4.6
|
35.1
|
1.0
|
O
|
E:ARG206
|
4.8
|
16.7
|
1.0
|
O
|
E:PRO204
|
4.8
|
16.1
|
1.0
|
|
Potassium binding site 7 out
of 7 in 4x10
Go back to
Potassium Binding Sites List in 4x10
Potassium binding site 7 out
of 7 in the Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 7 of Jc Polyomavirus Genotype 3 VP1 in Complex with GM2 Oligosaccharide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:K305
b:29.4
occ:0.80
|
O
|
E:HOH531
|
2.6
|
42.8
|
1.0
|
OG1
|
E:THR163
|
2.7
|
23.5
|
1.0
|
O
|
E:ARG161
|
2.8
|
22.3
|
1.0
|
O
|
E:ASP70
|
2.9
|
22.7
|
1.0
|
O
|
E:GLU68
|
2.9
|
31.8
|
1.0
|
O
|
E:HOH505
|
3.0
|
34.7
|
1.0
|
OG
|
E:SER71
|
3.5
|
29.8
|
0.5
|
N
|
E:THR163
|
3.6
|
21.7
|
1.0
|
CB
|
E:THR163
|
3.7
|
23.4
|
1.0
|
C
|
E:SER69
|
3.8
|
23.3
|
1.0
|
C
|
E:ASP70
|
3.9
|
23.7
|
1.0
|
C
|
E:ARG161
|
3.9
|
20.9
|
1.0
|
C
|
E:GLU68
|
4.0
|
30.5
|
1.0
|
N
|
E:ASP70
|
4.0
|
23.0
|
1.0
|
CA
|
E:SER69
|
4.0
|
24.8
|
1.0
|
O
|
E:SER69
|
4.1
|
25.0
|
1.0
|
C
|
E:THR162
|
4.2
|
20.1
|
1.0
|
CA
|
E:THR163
|
4.2
|
22.1
|
1.0
|
CA
|
E:THR162
|
4.4
|
19.5
|
1.0
|
N
|
E:SER69
|
4.4
|
26.0
|
1.0
|
CA
|
E:ASP70
|
4.5
|
22.4
|
1.0
|
OE2
|
E:GLU68
|
4.6
|
64.0
|
1.0
|
N
|
E:THR162
|
4.6
|
19.5
|
1.0
|
CB
|
E:SER71
|
4.7
|
23.7
|
0.5
|
CB
|
E:SER71
|
4.8
|
25.2
|
0.5
|
O
|
E:HOH416
|
4.8
|
39.9
|
1.0
|
N
|
E:SER71
|
4.8
|
22.1
|
1.0
|
O
|
E:THR162
|
5.0
|
19.9
|
1.0
|
CG2
|
E:THR163
|
5.0
|
24.9
|
1.0
|
CA
|
E:SER71
|
5.0
|
22.1
|
0.5
|
CA
|
E:SER71
|
5.0
|
22.9
|
0.5
|
CD
|
E:GLU68
|
5.0
|
51.8
|
1.0
|
|
Reference:
L.J.Stroh,
M.S.Maginnis,
B.S.Blaum,
C.D.Nelson,
U.Neu,
G.V.Gee,
B.A.O'hara,
N.Motamedi,
D.Dimaio,
W.J.Atwood,
T.Stehle.
The Greater Affinity of Jc Polyomavirus Capsid For Alpha 2,6-Linked Lactoseries Tetrasaccharide C Than For Other Sialylated Glycans Is A Major Determinant of Infectivity. J.Virol. V. 89 6364 2015.
ISSN: ESSN 1098-5514
PubMed: 25855729
DOI: 10.1128/JVI.00489-15
Page generated: Mon Aug 12 12:22:32 2024
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