7IAR

Crystal structure of Zika NS2B-NS3 protease in complex with fragment EOS102546 from ECBL-96

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	A, C (A, C)	NS2B co-factor	polymer	53	5865.4	2	UniProt (A0A142IX72)	Zika virus
2	B, D (B, D)	NS3 protease	polymer	176	18877.4	2	UniProt (A0A142IX72)	Zika virus
3	E, F (D)	2-(5-methylthiophen-2-yl)ethan-1-amine	non-polymer		141.2	2	Chemie (A1CD1)
4	G, H, I, J (A, B, C, D)	water	water		18.0	127	Chemie (HOH)

Sequence modifications

A, C: 45 - 96 (UniProt: A0A142IX72)

PDB	External Database	Details
Met 44	-	initiating methionine

B, D: 2 - 177 (UniProt: A0A142IX72)

PDB	External Database	Details
Ser 143	Cys 1639	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	49485.6
Non-Polymers*	Number of molecules	2
	Total formula weight	282.5
All*	Total formula weight	49768.0

*Water molecules are not included.