Potassium in PDB 4x11: Jc Polyomavirus Genotype 3 VP1 in Complex with GD1A Oligosaccharide
Protein crystallography data
The structure of Jc Polyomavirus Genotype 3 VP1 in Complex with GD1A Oligosaccharide, PDB code: 4x11
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 /
2.30
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
150.140,
96.100,
127.950,
90.00,
110.18,
90.00
|
R / Rfree (%)
|
16.1 /
20.1
|
Potassium Binding Sites:
The binding sites of Potassium atom in the Jc Polyomavirus Genotype 3 VP1 in Complex with GD1A Oligosaccharide
(pdb code 4x11). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 6 binding sites of Potassium where determined in the
Jc Polyomavirus Genotype 3 VP1 in Complex with GD1A Oligosaccharide, PDB code: 4x11:
Jump to Potassium binding site number:
1;
2;
3;
4;
5;
6;
Potassium binding site 1 out
of 6 in 4x11
Go back to
Potassium Binding Sites List in 4x11
Potassium binding site 1 out
of 6 in the Jc Polyomavirus Genotype 3 VP1 in Complex with GD1A 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 GD1A Oligosaccharide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K305
b:27.3
occ:0.80
|
O
|
B:ARG161
|
2.6
|
19.0
|
1.0
|
O
|
B:HOH505
|
2.7
|
34.3
|
1.0
|
O
|
B:GLU68
|
2.7
|
25.8
|
1.0
|
OG1
|
B:THR163
|
2.8
|
22.1
|
1.0
|
O
|
B:ASP70
|
3.0
|
21.3
|
1.0
|
O
|
B:HOH512
|
3.2
|
25.1
|
1.0
|
N
|
B:THR163
|
3.6
|
17.2
|
1.0
|
CB
|
B:THR163
|
3.8
|
19.5
|
1.0
|
C
|
B:SER69
|
3.8
|
20.5
|
1.0
|
C
|
B:ARG161
|
3.8
|
17.4
|
1.0
|
C
|
B:GLU68
|
3.8
|
24.7
|
1.0
|
CA
|
B:SER69
|
3.9
|
21.6
|
1.0
|
C
|
B:ASP70
|
4.0
|
19.8
|
1.0
|
N
|
B:ASP70
|
4.0
|
19.4
|
1.0
|
O
|
B:SER69
|
4.1
|
20.8
|
1.0
|
OE1
|
B:GLU68
|
4.2
|
60.1
|
1.0
|
C
|
B:THR162
|
4.2
|
16.7
|
1.0
|
CA
|
B:THR163
|
4.3
|
17.9
|
1.0
|
CA
|
B:THR162
|
4.3
|
15.8
|
1.0
|
N
|
B:SER69
|
4.3
|
22.4
|
1.0
|
N
|
B:THR162
|
4.5
|
16.8
|
1.0
|
CA
|
B:ASP70
|
4.6
|
19.0
|
1.0
|
CD
|
B:GLU68
|
4.7
|
43.0
|
1.0
|
CB
|
B:SER71
|
4.7
|
23.1
|
1.0
|
CA
|
B:ARG161
|
4.9
|
17.7
|
1.0
|
CB
|
B:ARG161
|
4.9
|
17.9
|
1.0
|
N
|
B:SER71
|
5.0
|
18.8
|
1.0
|
|
Potassium binding site 2 out
of 6 in 4x11
Go back to
Potassium Binding Sites List in 4x11
Potassium binding site 2 out
of 6 in the Jc Polyomavirus Genotype 3 VP1 in Complex with GD1A 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 GD1A Oligosaccharide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:K307
b:23.1
occ:0.80
|
O
|
E:HOH405
|
2.6
|
22.4
|
1.0
|
OG1
|
E:THR163
|
2.7
|
17.0
|
1.0
|
O
|
E:ARG161
|
2.8
|
14.7
|
1.0
|
O
|
E:GLU68
|
2.8
|
18.3
|
1.0
|
O
|
E:ASP70
|
2.9
|
18.1
|
1.0
|
OG
|
E:SER71
|
3.4
|
30.7
|
1.0
|
N
|
E:THR163
|
3.6
|
16.1
|
1.0
|
CB
|
E:THR163
|
3.7
|
18.2
|
1.0
|
C
|
E:ASP70
|
3.7
|
17.7
|
1.0
|
C
|
E:GLU68
|
3.8
|
17.8
|
1.0
|
N
|
E:ASP70
|
3.9
|
16.8
|
1.0
|
C
|
E:ARG161
|
4.0
|
15.0
|
1.0
|
C
|
E:SER69
|
4.0
|
16.3
|
1.0
|
CA
|
E:SER69
|
4.2
|
16.9
|
1.0
|
CA
|
E:THR163
|
4.3
|
16.7
|
1.0
|
C
|
E:THR162
|
4.3
|
16.0
|
1.0
|
CA
|
E:ASP70
|
4.4
|
16.6
|
1.0
|
N
|
E:SER69
|
4.4
|
16.3
|
1.0
|
CA
|
E:THR162
|
4.4
|
14.8
|
1.0
|
O
|
E:SER69
|
4.6
|
17.7
|
1.0
|
O
|
E:HOH406
|
4.6
|
29.4
|
1.0
|
N
|
E:SER71
|
4.6
|
19.3
|
1.0
|
CB
|
E:SER71
|
4.6
|
21.0
|
1.0
|
N
|
E:THR162
|
4.7
|
14.6
|
1.0
|
O
|
E:PHE67
|
4.8
|
14.7
|
1.0
|
CA
|
E:SER71
|
4.8
|
20.3
|
1.0
|
CA
|
E:GLU68
|
4.9
|
18.5
|
1.0
|
CB
|
E:ASP70
|
5.0
|
18.3
|
1.0
|
|
Potassium binding site 3 out
of 6 in 4x11
Go back to
Potassium Binding Sites List in 4x11
Potassium binding site 3 out
of 6 in the Jc Polyomavirus Genotype 3 VP1 in Complex with GD1A 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 GD1A Oligosaccharide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K307
b:25.5
occ:0.80
|
OG1
|
A:THR163
|
2.7
|
23.6
|
1.0
|
O
|
A:ARG161
|
2.7
|
19.0
|
1.0
|
O
|
A:GLU68
|
2.9
|
26.4
|
1.0
|
O
|
A:HOH526
|
3.0
|
29.2
|
1.0
|
O
|
A:ASP70
|
3.0
|
23.1
|
1.0
|
N
|
A:THR163
|
3.6
|
18.3
|
1.0
|
OG
|
A:SER71
|
3.6
|
26.6
|
0.3
|
CB
|
A:THR163
|
3.7
|
21.3
|
1.0
|
C
|
A:SER69
|
3.9
|
24.1
|
1.0
|
C
|
A:ARG161
|
3.9
|
18.8
|
1.0
|
C
|
A:ASP70
|
3.9
|
23.6
|
1.0
|
N
|
A:ASP70
|
3.9
|
23.1
|
1.0
|
C
|
A:GLU68
|
4.0
|
28.3
|
1.0
|
CA
|
A:SER69
|
4.0
|
25.8
|
1.0
|
CA
|
A:THR163
|
4.2
|
18.7
|
1.0
|
C
|
A:THR162
|
4.2
|
18.0
|
1.0
|
O
|
A:SER69
|
4.2
|
23.5
|
1.0
|
CA
|
A:THR162
|
4.4
|
17.0
|
1.0
|
N
|
A:SER69
|
4.5
|
26.2
|
1.0
|
CA
|
A:ASP70
|
4.5
|
22.6
|
1.0
|
N
|
A:THR162
|
4.6
|
17.6
|
1.0
|
OE2
|
A:GLU68
|
4.6
|
50.2
|
1.0
|
CB
|
A:SER71
|
4.9
|
25.8
|
0.7
|
CB
|
A:SER71
|
4.9
|
25.9
|
0.3
|
N
|
A:SER71
|
4.9
|
24.6
|
1.0
|
CA
|
A:ARG161
|
5.0
|
18.9
|
1.0
|
|
Potassium binding site 4 out
of 6 in 4x11
Go back to
Potassium Binding Sites List in 4x11
Potassium binding site 4 out
of 6 in the Jc Polyomavirus Genotype 3 VP1 in Complex with GD1A 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 GD1A Oligosaccharide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K305
b:36.1
occ:0.80
|
O
|
D:HOH527
|
2.6
|
28.8
|
1.0
|
O
|
D:THR205
|
2.7
|
15.7
|
1.0
|
OE2
|
C:GLU40
|
2.7
|
30.5
|
1.0
|
O
|
D:HOH411
|
2.7
|
15.7
|
1.0
|
OE1
|
C:GLU40
|
3.1
|
30.8
|
1.0
|
CD
|
C:GLU40
|
3.3
|
27.3
|
1.0
|
C
|
D:THR205
|
3.5
|
15.6
|
1.0
|
N
|
D:ARG206
|
4.3
|
14.4
|
1.0
|
CA
|
D:THR205
|
4.3
|
15.0
|
1.0
|
CA
|
D:ARG206
|
4.4
|
14.3
|
1.0
|
OH
|
C:TYR277
|
4.6
|
16.5
|
1.0
|
CG
|
C:GLU40
|
4.8
|
24.0
|
1.0
|
O
|
D:ARG206
|
4.8
|
13.1
|
1.0
|
O
|
D:PRO204
|
5.0
|
14.4
|
1.0
|
|
Potassium binding site 5 out
of 6 in 4x11
Go back to
Potassium Binding Sites List in 4x11
Potassium binding site 5 out
of 6 in the Jc Polyomavirus Genotype 3 VP1 in Complex with GD1A 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 GD1A Oligosaccharide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K306
b:20.7
occ:0.80
|
O
|
C:GLU68
|
2.6
|
24.8
|
1.0
|
O
|
C:ARG161
|
2.7
|
18.2
|
1.0
|
OG1
|
C:THR163
|
2.8
|
18.9
|
1.0
|
O
|
C:HOH546
|
2.8
|
32.9
|
1.0
|
O
|
C:HOH419
|
2.8
|
25.9
|
1.0
|
O
|
C:ASP70
|
2.8
|
19.7
|
1.0
|
N
|
C:THR163
|
3.6
|
19.6
|
1.0
|
C
|
C:GLU68
|
3.7
|
24.1
|
1.0
|
CB
|
C:THR163
|
3.7
|
21.4
|
1.0
|
C
|
C:ASP70
|
3.8
|
20.0
|
1.0
|
N
|
C:ASP70
|
3.8
|
18.8
|
1.0
|
C
|
C:ARG161
|
3.9
|
17.7
|
1.0
|
C
|
C:SER69
|
3.9
|
19.0
|
1.0
|
CA
|
C:SER69
|
4.2
|
20.0
|
1.0
|
C
|
C:THR162
|
4.2
|
19.1
|
1.0
|
CA
|
C:THR163
|
4.2
|
20.0
|
1.0
|
N
|
C:SER69
|
4.3
|
21.0
|
1.0
|
CA
|
C:ASP70
|
4.3
|
18.0
|
1.0
|
O
|
C:PHE67
|
4.3
|
19.3
|
1.0
|
CA
|
C:THR162
|
4.4
|
17.4
|
1.0
|
O
|
C:SER69
|
4.5
|
21.0
|
1.0
|
O
|
C:HOH404
|
4.5
|
33.8
|
1.0
|
N
|
C:THR162
|
4.6
|
17.3
|
1.0
|
CA
|
C:GLU68
|
4.7
|
27.4
|
1.0
|
N
|
C:SER71
|
4.7
|
19.3
|
1.0
|
CB
|
C:SER71
|
4.8
|
22.1
|
1.0
|
CB
|
C:ASP70
|
4.9
|
18.8
|
1.0
|
CA
|
C:ARG161
|
4.9
|
16.9
|
1.0
|
CB
|
C:ARG161
|
4.9
|
18.3
|
1.0
|
CA
|
C:SER71
|
5.0
|
20.2
|
1.0
|
|
Potassium binding site 6 out
of 6 in 4x11
Go back to
Potassium Binding Sites List in 4x11
Potassium binding site 6 out
of 6 in the Jc Polyomavirus Genotype 3 VP1 in Complex with GD1A 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 GD1A Oligosaccharide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:K302
b:21.6
occ:0.80
|
O
|
D:GLU68
|
2.6
|
24.2
|
1.0
|
O
|
D:HOH476
|
2.6
|
27.6
|
1.0
|
OG1
|
D:THR163
|
2.7
|
22.9
|
1.0
|
O
|
D:ASP70
|
2.7
|
20.7
|
1.0
|
O
|
D:ARG161
|
2.8
|
22.2
|
1.0
|
O
|
D:HOH516
|
2.8
|
33.5
|
1.0
|
N
|
D:THR163
|
3.5
|
19.8
|
1.0
|
CB
|
D:THR163
|
3.6
|
22.3
|
1.0
|
OG
|
D:SER71
|
3.6
|
35.7
|
1.0
|
C
|
D:GLU68
|
3.7
|
28.7
|
1.0
|
C
|
D:ASP70
|
3.7
|
21.5
|
1.0
|
N
|
D:ASP70
|
3.9
|
22.5
|
1.0
|
C
|
D:ARG161
|
4.0
|
21.2
|
1.0
|
C
|
D:SER69
|
4.0
|
22.8
|
1.0
|
CA
|
D:THR163
|
4.2
|
19.4
|
1.0
|
CA
|
D:SER69
|
4.2
|
25.0
|
1.0
|
C
|
D:THR162
|
4.2
|
21.2
|
1.0
|
CA
|
D:ASP70
|
4.4
|
20.9
|
1.0
|
N
|
D:SER69
|
4.4
|
25.7
|
1.0
|
CA
|
D:THR162
|
4.4
|
19.6
|
1.0
|
O
|
D:SER69
|
4.5
|
25.0
|
1.0
|
O
|
D:HOH542
|
4.5
|
35.5
|
1.0
|
N
|
D:THR162
|
4.7
|
19.4
|
1.0
|
N
|
D:SER71
|
4.7
|
21.0
|
1.0
|
O
|
D:PHE67
|
4.7
|
25.7
|
1.0
|
CA
|
D:GLU68
|
4.8
|
33.4
|
1.0
|
CB
|
D:SER71
|
4.8
|
24.4
|
1.0
|
CA
|
D:SER71
|
4.9
|
22.2
|
1.0
|
CB
|
D:ASP70
|
5.0
|
20.1
|
1.0
|
CG2
|
D:THR163
|
5.0
|
22.4
|
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 12:22:30 2024
|