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Sodium in PDB 4cdq: Crystal Structure of Human Enterovirus 71 in Complex with the Uncoating Inhibitor GPP2

Protein crystallography data

The structure of Crystal Structure of Human Enterovirus 71 in Complex with the Uncoating Inhibitor GPP2, PDB code: 4cdq was solved by L.Decolibus, X.Wang, J.A.B.Spyrou, J.Kelly, J.Ren, J.Grimes, G.Puerstinger, N.Stonehouse, T.S.Walter, Z.Hu, J.Wang, X.Li, W.Peng, D.Rowlands, E.E.Fry, Z.Rao, D.I.Stuart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.98 / 2.65
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 599.769, 599.769, 599.769, 90.00, 90.00, 90.00
R / Rfree (%) 24.5 / 24.6

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Human Enterovirus 71 in Complex with the Uncoating Inhibitor GPP2 (pdb code 4cdq). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Human Enterovirus 71 in Complex with the Uncoating Inhibitor GPP2, PDB code: 4cdq:

Sodium binding site 1 out of 1 in 4cdq

Go back to Sodium Binding Sites List in 4cdq
Sodium binding site 1 out of 1 in the Crystal Structure of Human Enterovirus 71 in Complex with the Uncoating Inhibitor GPP2


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Human Enterovirus 71 in Complex with the Uncoating Inhibitor GPP2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Na1243

b:21.8
occ:1.00
OE2 C:GLU5 2.8 15.6 1.0
OE1 C:GLU5 3.3 17.4 1.0
CD C:GLU5 3.4 14.1 1.0
O C:HOH2002 3.9 6.7 1.0
O C:HOH2003 4.4 15.0 1.0
CG C:GLU5 4.9 9.8 1.0

Reference:

L.De Colibus, X.Wang, J.A.B.Spyrou, J.Kelly, J.Ren, J.Grimes, G.Puerstinger, N.Stonehouse, T.S.Walter, Z.Hu, J.Wang, X.Li, W.Peng, D.J.Rowlands, E.E.Fry, Z.Rao, D.I.Stuart. More-Powerful Virus Inhibitors From Structure-Based Analysis of HEV71 Capsid-Binding Molecules Nat.Struct.Mol.Biol. V. 21 282 2014.
ISSN: ISSN 1545-9993
PubMed: 24509833
DOI: 10.1038/NSMB.2769
Page generated: Tue Dec 15 06:35:38 2020

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