3HHI

Crystal Structure of Cathepsin B from T. brucei in complex with CA074

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Cathepsin B-like cysteine protease	polymer	325	35920.9	2	UniProt (Q6R7Z5)	Trypanosoma brucei	Cysteine peptidase C (CPC)
2	C, H (A, B)	[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-DIONYL]-ISOLEUCYL-PROLINE	non-polymer		385.5	2	BIRD (PRD_001032) Chemie (074)
3	D (A)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
4	E, F, I, J, K... (A, B)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
5	G (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
6	M (B)	LITHIUM ION	non-polymer		6.9	1	Chemie (LI)
7	N, O (A, B)	water	water		18.0	572	Chemie (HOH)

Sequence modifications

A, B: 23 - 340 (UniProt: Q6R7Z5)

PDB	External Database	Details
Asp 216	Asn 216	engineered mutation
His 341	-	expression tag
His 342	-	expression tag
His 343	-	expression tag
His 344	-	expression tag
His 345	-	expression tag
His 346	-	expression tag
His 347	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71841.7
Non-Polymers*	Number of molecules	11
	Total formula weight	1476.9
All*	Total formula weight	73318.6

*Water molecules are not included.