8CCU

Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 1

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	Cathepsin B-like peptidase (C01 family)	polymer	254	28507.3	1	UniProt (Q8MNY2) Pfam (PF00112) In PDB	Schistosoma mansoni	Cathepsin B1 isotype 1
2	AAA	[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate	non-polymer		636.9	1	Chemie (U9X)
3	AAA	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4		water	water		18.0	261	Chemie (HOH)

Sequence modifications

AAA: 70 - 323 (UniProt: Q8MNY2)

PDB	External Database	Details
Ala 168	Thr 185	engineered mutation
Ala 283	Thr 300	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	28507.3
Non-Polymers*	Number of molecules	2
	Total formula weight	659.9
All*	Total formula weight	29167.1

*Water molecules are not included.