8JIG

A Novel UHRF1-Targeted Compound

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)	E3 ubiquitin-protein ligase UHRF1	polymer	212	23769.6	2	UniProt (Q96T88) Pfam (PF02182)	Homo sapiens (human)	Inverted CCAAT box-binding protein of 90 kDa,Nuclear protein 95,Nuclear zinc finger protein Np95,HuNp95,hNp95,RING finger protein 106,RING-type E3 ubiquitin transferase UHRF1,Transcription factor ICBP90,Ubiquitin-like PHD and RING finger domain-containing protein 1,hUHRF1,Ubiquitin-like-containing PHD and RING finger domains protein 1
2	C, D (A, B)	N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N'-oxidanyl-octanediamide	non-polymer		298.3	2	Chemie (8JA)
3	E, F (A, B)	water	water		18.0	144	Chemie (HOH)

Sequence modifications

A, B: 414 - 617 (UniProt: Q96T88)

PDB	External Database	Details
Met 413	-	initiating methionine
Ala 618	-	expression tag
His 619	-	expression tag
His 620	-	expression tag
His 621	-	expression tag
His 622	-	expression tag
His 623	-	expression tag
His 624	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	47539.1
Non-Polymers*	Number of molecules	2
	Total formula weight	596.6
All*	Total formula weight	48135.7

*Water molecules are not included.