3S3S

Transglutaminase 2 in complex with a novel inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Protein-glutamine gamma-glutamyltransferase 2	polymer	694	78312.6	1	UniProt (P21980) Pfam (PF00868) Pfam (PF01841) Pfam (PF00927) In PDB	Homo sapiens (human)	Tissue transglutaminase, Transglutaminase C, TG(C), TGC, TGase C, Transglutaminase H, TGase H, Transglutaminase-2, TGase-2
2	B	peptide inhibitor	polymer	5	665.2	1	BIRD (PRD_000937)	synthetic construct
3	A	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
4		water	water		18.0	153	Chemie (HOH)

Sequence modifications

A: 2 - 687 (UniProt: P21980)

PDB	External Database	Details
Met -6	-	initiating methionine
Ala -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	78977.9
Non-Polymers*	Number of molecules	6
	Total formula weight	576.4
All*	Total formula weight	79554.2

*Water molecules are not included.