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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

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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

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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

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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

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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

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