3BCN

Crystal structure of a papain-like cysteine protease Ervatamin-A complexed with irreversible inhibitor E-64

Replaces:  2PSC

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Ervatamin-A	polymer	209	22853.1	2	UniProt (A5YVK8) Pfam (PF00112) In PDB	Tabernaemontana divaricata	papain-like cysteine protease
2	A, B	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE	non-polymer		360.4	2	Chemie (E64)
3	A	BETA-MERCAPTOETHANOL	non-polymer		78.1	1	Chemie (BME)
4		water	water		18.0	40	Chemie (HOH)

Sequence modifications

A, B: 12 - 195 (UniProt: A5YVK8)

PDB	External Database	Details
Leu 1	-	SEE REMARK 999
Pro 2	-	SEE REMARK 999
Glu 3	-	SEE REMARK 999
His 4	-	SEE REMARK 999
Val 5	-	SEE REMARK 999
Asp 6	-	SEE REMARK 999
Trp 7	-	SEE REMARK 999
Arg 8	-	SEE REMARK 999
Ala 9	-	SEE REMARK 999
Lys 10	-	SEE REMARK 999
Gly 11	-	SEE REMARK 999
Gly 144	Ser 133	SEE REMARK 999
Cys 196	-	SEE REMARK 999
Gly 197	-	SEE REMARK 999
Ile 198	-	SEE REMARK 999
Ala 199	-	SEE REMARK 999
Arg 200	-	SEE REMARK 999
Leu 201	-	SEE REMARK 999
Pro 202	-	SEE REMARK 999
Phe 203	-	SEE REMARK 999
Tyr 204	-	SEE REMARK 999
Pro 205	-	SEE REMARK 999
Thr 206	-	SEE REMARK 999
Lys 207	-	SEE REMARK 999
Ala 208	-	SEE REMARK 999
Unk 209	-	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	45706.3
Non-Polymers*	Number of molecules	3
	Total formula weight	799.0
All*	Total formula weight	46505.3

*Water molecules are not included.