8BT0

Notum Inhibitor ARUK3005518

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Palmitoleoyl-protein carboxylesterase NOTUM	polymer	383	43567.1	1	UniProt (Q6P988) Pfam (PF03283)	Homo sapiens (human)	hNOTUM
2	B (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
3	C, D, E, N (A)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
4	F (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
5	G, H, I, J, K... (A)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
6	M (A)	(3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one	non-polymer		209.2	1	Chemie (RGO)
7	O (A)	water	water		18.0	102	Chemie (HOH)

Sequence modifications

A: 81 - 451 (UniProt: Q6P988)

PDB	External Database	Details
Glu 78	-	cloning artifact
Thr 79	-	cloning artifact
Gly 80	-	cloning artifact
Ser 330	Cys 330	engineered mutation
Gly 452	-	expression tag
Thr 453	-	expression tag
Lys 454	-	expression tag
His 455	-	expression tag
His 456	-	expression tag
His 457	-	expression tag
His 458	-	expression tag
His 459	-	expression tag
His 460	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43567.1
Non-Polymers*	Number of molecules	13
	Total formula weight	1265.2
All*	Total formula weight	44832.3

*Water molecules are not included.