7NPL

ALPHA-1 ANTITRYPSIN (C232S) COMPLEXED WITH cmpd 11

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	404	45595.7	1	UniProt (P01009) Pfam (PF00079) In PDB	Homo sapiens (Human)	Alpha-1 protease inhibitor,Alpha-1-antiproteinase,Serpin A1
2	A	N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide	non-polymer		386.9	1	Chemie (UKZ)
3	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4		water	water		18.0	79	Chemie (HOH)

Sequence modifications

A: 2 - 394 (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	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	45595.7
Non-Polymers*	Number of molecules	2
	Total formula weight	479.0
All*	Total formula weight	46074.6

*Water molecules are not included.