9S1B

WRN helicase in complex with covalent inhibitor GSK_WRN3

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 (A)	Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN	polymer	443	50635.3	1	UniProt (Q14191) Pfam (PF00270) Pfam (PF00271) Pfam (PF16124)	Homo sapiens (human)	DNA helicase,RecQ-like type 3,RecQ protein-like 2,Werner syndrome protein
2	B (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN) PubChem (32051)
3	C (A)	~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-oxidanyl-2-oxidanylidene-6-phenyl-1~{H}-pyridine-3-carboxamide	non-polymer		348.4	1	Chemie (A1JKU)
4	D, E (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	F (A)	water	water		18.0	61	Chemie (HOH)

Sequence modifications

A: 517 - 943 (UniProt: Q14191)

PDB	External Database	Details
Met 501	-	initiating methionine
Gly 502	-	expression tag
His 503	-	expression tag
His 504	-	expression tag
His 505	-	expression tag
His 506	-	expression tag
His 507	-	expression tag
His 508	-	expression tag
Glu 509	-	expression tag
Asn 510	-	expression tag
Leu 511	-	expression tag
Tyr 512	-	expression tag
Phe 513	-	expression tag
Gln 514	-	expression tag
Gly 515	-	expression tag
Ser 516	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	50635.3
Non-Polymers*	Number of molecules	4
	Total formula weight	537.9
All*	Total formula weight	51173.2

*Water molecules are not included.