7NPK

ALPHA-1 ANTITRYPSIN C232S COMPLEXED WITH CMPD3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Alpha-1-antitrypsin	polymer	403	45466.5	1	UniProt (P01009) Pfam (PF00079) In PDB	Homo sapiens (Human)	Alpha-1 protease inhibitor,Alpha-1-antiproteinase,Serpin A1
2	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	A	N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide	non-polymer		354.4	1	Chemie (UL2)
4		water	water		18.0	129	Chemie (HOH)

Sequence modifications

A: 2 - 393 (UniProt: P01009)

PDB	External Database	Details
Met -9	-	initiating methionine
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
Ser 232	Cys 256	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	45466.5
Non-Polymers*	Number of molecules	3
	Total formula weight	538.6
All*	Total formula weight	46005.1

*Water molecules are not included.