7PAW

MALT1 in complex with compound 1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Mucosa-associated lymphoid tissue lymphoma translocation protein 1	polymer	388	44169.9	2	UniProt (Q9UDY8) Pfam (PF00656) Pfam (PF18703) In PDB	Homo sapiens (Human)	MALT lymphoma-associated translocation,Paracaspase
2	B	~{N}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{N}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine	non-polymer		412.8	1	Chemie (6IT)
3		water	water		18.0	50	Chemie (HOH)

Sequence modifications

A, B: 339 - 719 (UniProt: Q9UDY8)

PDB	External Database	Details
Met 338	-	initiating methionine
Lys 595	Asp 595	engineered mutation
Lys 617	Ser 617	engineered mutation
Ala 666	His 666	engineered mutation
Glu 681	His 681	engineered mutation
His 720	-	expression tag
His 721	-	expression tag
His 722	-	expression tag
His 723	-	expression tag
His 724	-	expression tag
His 725	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	88339.8
Non-Polymers*	Number of molecules	1
	Total formula weight	412.8
All*	Total formula weight	88752.6

*Water molecules are not included.