SMTL ID : 4q4w.1 (4 other biounits)

High-resolution crystal structure of Coxsackievirus A24v

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.40 Å

Oligo State

hetero-oligomer

Ligands

3 x HEZ: HEXANE-1,6-DIOL(Non-covalent)

HEZ.1: 5 residues within 4Å: Chain A: N.154, T.188, Y.189, G.190, S.191 2 PLIP interactions: 2 interactions with chain A Hydrophobic interactions: A:N.154 Hydrogen bonds: A:G.190 HEZ.2: 5 residues within 4Å: Chain A: T.88, I.89, D.116, T.117 Chain C: T.234 5 PLIP interactions: 5 interactions with chain A Hydrophobic interactions: A:I.89 Hydrogen bonds: A:T.88, A:T.88, A:I.89 Water bridges: A:D.116 HEZ.9: 4 residues within 4Å: Chain A: Y.230, V.234, T.235 Chain B: T.140 6 PLIP interactions: 5 interactions with chain A, 1 interactions with chain B Hydrophobic interactions: A:Y.230, A:Y.230, A:V.234 Water bridges: A:Y.230, A:T.235, B:T.140

4 x CA: CALCIUM ION(Non-covalent)

CA.3: 4 residues within 4Å: Chain A: T.26, A.27, S.29, N.68 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:T.26, A:A.27, A:S.29, A:N.68 CA.4: 4 residues within 4Å: Chain A: T.33, S.34, S.58, I.61 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:T.33, A:S.34, A:S.58, A:I.61, H2O.9 CA.5: 4 residues within 4Å: Chain A: V.41, L.44 Chain D: K.63, A.65 5 PLIP interactions: 2 interactions with chain D, 3 Ligand-Water interactions Metal complexes: D:K.63, D:A.65, H2O.6, H2O.6, H2O.12 CA.10: 1 residues within 4Å: Chain B: E.55 2 PLIP interactions: 1 interactions with chain B, 1 Ligand-Water interactions Metal complexes: B:E.55, H2O.16

4 x CL: CHLORIDE ION(Non-functional Binders)

CL.6: 2 residues within 4Å: Chain A: N.248, E.249 Ligand excluded by PLIP CL.7: 1 residues within 4Å: Chain A: R.245 Ligand excluded by PLIP CL.8: 5 residues within 4Å: Chain A: K.220, D.221 Chain B: A.269, T.270, Q.271 Ligand excluded by PLIP CL.11: 3 residues within 4Å: Chain B: D.88, G.151, E.152 Ligand excluded by PLIP

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Zocher, G. et al., A sialic Acid binding site in a human picornavirus. Plos Pathog. (2014)

Release Date

2014-11-05

Peptides

Coxsackievirus capsid protein VP1: A
Coxsackievirus capsid protein VP2: B
Coxsackievirus capsid protein VP3: C
Coxsackievirus capsid protein VP4: D

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
1

B
2

C
3

D
4

Coxsackievirus capsid protein VP1

Coxsackievirus capsid protein VP2

Coxsackievirus capsid protein VP3

Coxsackievirus capsid protein VP4

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