2D26

Active site distortion is sufficient for proteinase inhibit second crystal structure of covalent serpin-proteinase complex

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	358	40115.3	1	UniProt (P01009) Pfam (PF00079) In PDB	Homo sapiens (human)	Alpha-1 protease inhibitor, Alpha-1- antiproteinase
2	B	Alpha-1-antitrypsin	polymer	36	4133.9	1	UniProt (P01009) In PDB	Homo sapiens (human)	Alpha-1 protease inhibitor, Alpha-1- antiproteinase
3	C	Elastase-1	polymer	240	25929.0	1	UniProt (P00772) Pfam (PF00089) In PDB	Sus scrofa (pig)
4		water	water		18.0	75	Chemie (HOH)

Sequence modifications

A: 1 - 358 (UniProt: P01009)

PDB	External Database	Details
Met 1	Glu 25	engineered mutation
Leu 51	Phe 75	engineered mutation
Ala 59	Thr 83	engineered mutation
Ala 68	Thr 92	engineered mutation
Gly 70	Ala 94	engineered mutation
His 101	Arg 125	engineered mutation
Ser 232	Cys 256	engineered mutation

B: 359 - 394 (UniProt: P01009)

PDB	External Database	Details
Ile 374	Met 398	engineered mutation
Ala 381	Ser 405	engineered mutation
Arg 387	Lys 411	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	70178.3
All*	Total formula weight	70178.3

*Water molecules are not included.