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Cryo-EM structure of coxsackievirus B1 virion in complex with car

Analyse Cryo-EM structure of coxsackievirus B1 virion in complex with car in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7DPZ
Type
protein
Length
917 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Virion protein 1; VP2; VP3; Capsid protein VP4; Coxsackievirus and adenovirus receptor
UniProt
W8GTF7, A0A2S0RQC2, L7UV52, A0A2S1FMR1, P78310
Pockets
19 · best druggability 0.77

Structure

electron microscopy · 5 distinct chains · 7% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
1Virion protein 1protein2678% helix, 26% strandW8GTF7
2VP2protein2529% helix, 30% strandA0A2S0RQC2
3VP3protein2376% helix, 29% strandL7UV52
4Capsid protein VP4protein506% helix, 14% strandA0A2S1FMR1
KCoxsackievirus and adenovirus receptorprotein1113% helix, 40% strandP78310

Pockets

19 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15910.770.8360empty
2690.720.9727empty
3520.700.9822empty
42220.540.7724empty
51830.520.7824empty

Interfaces

8 interfaces between chains.

  • 1–3 · 4087 Ų buried · 47 hydrogen bonds · protein-protein
  • 1–2 · 2132 Ų buried · 21 hydrogen bonds · protein-protein
  • 2–3 · 1649 Ų buried · 10 hydrogen bonds · protein-protein
  • 1–4 · 1103 Ų buried · 11 hydrogen bonds · protein-protein
  • 3–4 · 847 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7DPZ · Cryo-EM structure of Coxsackievirus B1 virion in complex with CAR · the same entry in another collection · chain 1 against 1, TM-score 1.00
  • P78310 · AlphaFold monomer V2.0 prediction for coxsackievirus and adenovirus receptor (P78310) · a predicted model of the same protein · chain K against A, TM-score 0.95

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