4PYW

1.92 angstrom crystal structure of A1AT:TTAI ternary complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Alpha-1-antitrypsin	polymer	404	45611.7	1	UniProt (P01009) Pfam (PF00079)	Homo sapiens (human)	Alpha-1 protease inhibitor, Alpha-1-antiproteinase, Serpin A1, Short peptide from AAT, SPAAT
2	B, C (B, C)	ACE-THR-THR-ALA-ILE-NH2	polymer	6	428.5	2		synthetic construct
3	D, E (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	F (A)	water	water		18.0	96	Chemie (HOH)

Sequence modifications

A: 2 - 394 (UniProt: P01009)

PDB	External Database	Details
Met -9	-	expression tag
Arg -8	-	expression tag
Gly -7	-	expression tag
Ser -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Thr 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	46468.8
Non-Polymers*	Number of molecules	2
	Total formula weight	184.2
All*	Total formula weight	46652.9

*Water molecules are not included.