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Potassium in PDB 6t48: Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide

Enzymatic activity of Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide

All present enzymatic activity of Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide:
2.7.7.48; 3.4.22.28; 3.4.22.29; 3.6.1.15;

Protein crystallography data

The structure of Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide, PDB code: 6t48 was solved by H.M.E.Duyvesteyn, J.Ren, T.S.Walter, E.E.Fry, D.I.Stuart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.98 / 2.17
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 344.000, 349.400, 352.700, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 20.3

Other elements in 6t48:

The structure of Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide (pdb code 6t48). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide, PDB code: 6t48:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 6t48

Go back to Potassium Binding Sites List in 6t48
Potassium binding site 1 out of 4 in the Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K308

b:44.8
occ:1.00
 O A:LEU33 2.9 11.4 1.0
O D:ALA65 2.9 24.8 1.0
O D:GLU63 3.0 27.8 1.0
O A:HOH575 3.2 28.5 1.0
O A:THR30 3.3 19.7 1.0
O A:PRO31 3.4 13.5 1.0
NE2 A:GLN34 3.4 14.0 1.0
C D:GLU63 3.8 26.1 1.0
C A:PRO31 3.8 15.2 1.0
CA A:PRO31 3.8 12.9 1.0
C A:LEU33 4.1 16.6 1.0
OD1 A:ASN43 4.1 20.3 1.0
O D:LYS62 4.1 19.2 1.0
C D:ALA65 4.2 25.2 1.0
C A:THR30 4.2 13.5 1.0
CA D:GLU63 4.2 28.1 1.0
CD A:GLN34 4.3 13.9 1.0
CD D:PRO67 4.4 17.4 1.0
O D:HOH113 4.4 41.1 1.0
N A:PRO31 4.4 17.1 1.0
CG D:PRO67 4.4 23.9 1.0
N A:LEU33 4.5 12.8 1.0
N D:ALA65 4.7 28.9 1.0
CA A:LEU33 4.8 12.5 1.0
OE1 A:GLN34 4.8 17.4 1.0
N D:ALA64 4.8 20.2 1.0
N A:ALA32 4.9 8.0 1.0
CA D:VAL66 4.9 29.1 1.0
C D:ALA64 4.9 25.8 1.0
N D:PRO67 4.9 20.8 1.0
CB A:LEU33 5.0 10.4 1.0
N D:VAL66 5.0 28.6 1.0

Potassium binding site 2 out of 4 in 6t48

Go back to Potassium Binding Sites List in 6t48
Potassium binding site 2 out of 4 in the Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K309

b:34.9
occ:1.00
 O A:VAL15 3.0 12.1 1.0
O A:ASN57 3.0 15.6 1.0
OG1 A:THR14 3.1 18.4 1.0
OD1 A:ASN17 3.1 26.6 1.0
O A:HOH597 3.4 33.8 1.0
CG A:ASN17 3.5 20.3 1.0
ND2 A:ASN17 3.6 24.0 1.0
O A:HOH478 3.7 26.5 1.0
CB A:THR14 3.9 16.0 1.0
O A:HOH555 3.9 32.9 1.0
C A:ASN57 4.1 21.8 1.0
N A:ASN17 4.2 12.7 1.0
C A:VAL15 4.2 18.3 1.0
O A:HOH560 4.2 35.2 1.0
C A:GLU16 4.6 16.7 1.0
CB A:ASN17 4.6 9.3 1.0
CA A:ASN17 4.7 9.8 1.0
C A:THR14 4.7 17.7 1.0
O A:HOH473 4.7 37.9 1.0
CA A:GLU16 4.7 13.9 1.0
N A:ASN57 4.8 14.1 1.0
CG2 A:THR14 4.8 16.7 1.0
N A:VAL15 4.8 15.8 1.0
CA A:ASN57 4.8 17.8 1.0
O A:THR14 4.9 15.9 1.0
CB A:ASN57 4.9 11.0 1.0
N A:GLU16 5.0 16.0 1.0
CA A:THR14 5.0 17.4 1.0

Potassium binding site 3 out of 4 in 6t48

Go back to Potassium Binding Sites List in 6t48
Potassium binding site 3 out of 4 in the Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K302

b:84.0
occ:1.00
 O B:GLN53 3.3 16.8 1.0
O B:HOH558 3.6 48.6 1.0
C B:GLN53 4.5 13.9 1.0
N B:GLY55 4.7 10.8 1.0
O B:HOH559 4.7 31.9 1.0
CA B:GLY55 4.8 7.0 1.0
C B:PRO54 4.8 14.7 1.0

Potassium binding site 4 out of 4 in 6t48

Go back to Potassium Binding Sites List in 6t48
Potassium binding site 4 out of 4 in the Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K304

b:50.1
occ:1.00
 O A:SER42 3.0 16.7 1.0
OE1 C:GLN222 3.0 13.7 1.0
O C:HOH411 3.1 19.2 1.0
O A:HOH476 3.1 18.0 1.0
O A:HOH586 3.3 39.0 1.0
OD2 C:ASP114 3.4 21.1 1.0
CG2 A:THR41 3.8 3.5 1.0
CG C:ASP114 3.8 29.8 1.0
CB C:ASP114 3.8 10.2 1.0
C A:SER42 3.9 14.0 1.0
O C:HOH460 4.1 21.7 1.0
CD C:GLN222 4.2 23.4 1.0
CB A:SER42 4.4 12.5 1.0
O C:ALA221 4.5 8.1 1.0
CA A:SER42 4.6 13.0 1.0
N A:SER42 4.6 8.1 1.0
O A:HOH547 4.6 41.6 1.0
OD1 C:ASP114 4.7 28.9 1.0
O A:ALA44 4.7 16.2 1.0
OG A:SER42 4.8 11.7 1.0
N A:ASN43 4.8 14.8 1.0
O A:HOH568 4.8 40.1 1.0
NE2 C:GLN222 4.8 14.2 1.0
OE2 C:GLU50 4.9 22.2 1.0
O C:GLN48 4.9 9.6 1.0
CA A:ASN43 5.0 13.0 1.0

Reference:

H.M.E.Duyvesteyn, J.Ren, T.S.Walter, E.E.Fry, D.I.Stuart. Glutathione Facilitates Enterovirus Assembly By Binding at A Druggable Pocket. Commun Biol V. 3 9 2020.
ISSN: ESSN 2399-3642
PubMed: 31909201
DOI: 10.1038/S42003-019-0722-X
Page generated: Mon Dec 14 01:36:26 2020

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