9HUD

Alpha-1-antitrypsin in the cleaved conformation in complex with a conformationally nonselective Fab fragment

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Alpha-1-antitrypsin	polymer	364	41077.3	2	UniProt (P01009) Pfam (PF00079)	Homo sapiens (human)	Alpha-1 protease inhibitor,Alpha-1-antiproteinase,Serpin A1
2	B, D (B, D)	Short peptide from AAT	polymer	40	4552.5	2	UniProt (P01009)	Homo sapiens (human)	SPAAT
3	E, G (H, I)	FAB 9C5 heavy chain	polymer	218	23454.2	2		Mus musculus
4	F, H (L, M)	FAB 9C5 light chain	polymer	214	23709.4	2		Mus musculus
5	I, J, N, Q, S... (C, L, I, M)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
6	K, L, P (H, I)	GLYCINE	non-polymer		75.1	3	Chemie (GLY)
7	M, V (H, M)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
8	O, W (L, M)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
9	R (I)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
10	U (M)	LYSINE	non-polymer		147.2	1	Chemie (LYS)
11	AA, BA, CA, DA, EA... (D, H, L, I, M...)	water	water		18.0	596	Chemie (HOH)

Sequence modifications

A, C: 2 - 354 (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

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	185586.8
Non-Polymers*	Number of molecules	15
	Total formula weight	953.8
All*	Total formula weight	186540.5

*Water molecules are not included.