3RVB

The structure of HCV NS3 helicase (Heli-80) bound with inhibitor ITMN-3479

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	RNA helicase	polymer	493	52810.7	1	UniProt (P26663) Pfam (PF07652) In PDB	Hepatitis C virus (HCV)
2	A	{1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1H-indol-3-yl}acetic acid	non-polymer		476.0	1	Chemie (I79)
3	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5		water	water		18.0	131	Chemie (HOH)

Sequence modifications

A: 160 - 632 (UniProt: P26663)

PDB	External Database	Details
Met 145	-	expression tag
Gly 146	-	expression tag
Arg 147	-	expression tag
Gly 148	-	expression tag
Ser 149	-	expression tag
His 150	-	expression tag
His 151	-	expression tag
His 152	-	expression tag
His 153	-	expression tag
His 154	-	expression tag
His 155	-	expression tag
Gly 156	-	expression tag
Met 157	-	expression tag
Ala 158	-	expression tag
Ser 159	-	expression tag
Thr 196	Ser 1222	conflict
Val 240	Ala 1266	conflict
Ala 258	Thr 1284	conflict
Gly 263	Ala 1289	conflict
Ile 265	Val 1291	conflict
Ser 299	Thr 1325	conflict
Val 358	Ala 1384	conflict
Ala 383	Gly 1409	conflict
Leu 386	Ile 1412	conflict
Ser 403	Ile 1429	conflict
Asp 447	Glu 1473	conflict
Ser 584	Cys 1610	conflict
Thr 586	Ile 1612	conflict
Leu 605	Val 1631	conflict
Val 615	Ile 1641	conflict
Phe 618	Tyr 1644	conflict
Ala 632	Ser 1658	conflict
Ala 633	-	insertion
Ala 634	-	insertion
Arg 635	-	insertion
Glu 636	-	insertion
Ala 637	-	insertion

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	52810.7
Non-Polymers*	Number of molecules	4
	Total formula weight	560.1
All*	Total formula weight	53370.8

*Water molecules are not included.