8RS6

Crystal structure of Zika Virus NS2B-NS3 protease in complex with compound 1

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, B (A, B)	Genome polyprotein	polymer	227	23950.8	2	UniProt (A0A140DLX4)	Zika virus
2	C, D (A, B)	(1~{E})-1-[3-[(2~{R})-1-phenylpropan-2-yl]-2~{H}-1,2,3-oxadiazol-3-ium-5-ylidene]-3-[3-(trifluoromethyl)phenyl]urea	non-polymer		391.4	2	Chemie (A1H2Z)
3	E, F (A, B)	water	water		18.0	66	Chemie (HOH)

Sequence modifications

A, B: 48 - 1170 (UniProt: A0A140DLX4)

PDB	External Database	Details
Met 48	Ser 1420	conflict
-	Arg 1467	deletion
-	Glu 1468	deletion
-	Ile 1469	deletion
-	Ile 1470	deletion
-	Leu 1471	deletion
-	Lys 1472	deletion
-	Val 1473	deletion
-	Val 1474	deletion
-	Leu 1475	deletion
-	Met 1476	deletion
-	Thr 1477	deletion
-	Ile 1478	deletion
-	Cys 1479	deletion
-	Gly 1480	deletion
-	Met 1481	deletion
-	Asn 1482	deletion
-	Pro 1483	deletion
-	Ile 1484	deletion
-	Ala 1485	deletion
-	Ile 1486	deletion
-	Pro 1487	deletion
-	Phe 1488	deletion
-	Ala 1489	deletion
-	Ala 1490	deletion
-	Gly 1491	deletion
-	Ala 1492	deletion
Ala 991	Trp 1493	linker
Gly 992	Tyr 1494	linker
Gly 993	Val 1495	linker
Gly 994	Tyr 1496	linker
Gly 995	Val 1497	linker
Ser 996	Lys 1498	linker
Gly 997	Thr 1499	linker
Gly 999	Lys 1501	linker
Gly 1000	Arg 1502	linker
Gly 1029	Arg 1531	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	47901.7
Non-Polymers*	Number of molecules	2
	Total formula weight	782.7
All*	Total formula weight	48684.4

*Water molecules are not included.