6TSD

Crystal structure of human coxsackievirus A24v in complex with pentavalent inhibitor ME0752

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	111	Capsid protein VP1	polymer	305	34378.4	1	UniProt (V9VEF3) Pfam (PF00073) In PDB	Coxsackievirus A24	Cosackievirus A24v viral capsid protein 1
2	222	Capsid protein VP2	polymer	271	29817.4	1	UniProt (V9VEF3) Pfam (PF00073) In PDB	Coxsackievirus A24	Cosackievirus A24v viral capsid protein 2
3	333	Capsid protein VP3	polymer	240	26637.7	1	UniProt (V9VEF3) Pfam (PF00073) In PDB	Coxsackievirus A24	Cosackievirus A24v viral capsid protein 3
4	444	Capsid protein VP4	polymer	69	7319.0	1	UniProt (V9VEF3) Pfam (PF02226) In PDB	Coxsackievirus A24	Cosackievirus A24v viral capsid protein 4
5	111	N-acetyl-alpha-neuraminic acid	non-polymer		309.3	1	Chemie (SIA)
6	111, 222	HEXANE-1,6-DIOL	non-polymer		118.2	4	Chemie (HEZ)
7	111, 222, 333	CHLORIDE ION	non-polymer		35.5	7	Chemie (CL)
8	111	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
9	111, 222, 333	CALCIUM ION	non-polymer		40.1	5	Chemie (CA)
10	333	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
11		water	water		18.0	816	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	98152.6
Non-Polymers*	Number of molecules	19
	Total formula weight	1277.8
All*	Total formula weight	99430.4

*Water molecules are not included.