7AEL

alpha 1-antitrypsin (C232S) complexed with GSK716

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	AAA	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	AAA	~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide	non-polymer		370.4	1	Chemie (R7Z)
3	AAA	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4		water	water		18.0	289	Chemie (HOH)

Sequence modifications

AAA: 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	466.5
All*	Total formula weight	46062.2

*Water molecules are not included.