5THO

Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with N,C-capped Dipeptide Inhibitor PKS2205

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Proteasome subunit alpha	polymer	240	25972.0	14	UniProt (A5U4D5) Pfam (PF00227)	Mycobacterium tuberculosis (strain ATCC 25177 / H37Ra)	20S proteasome alpha subunit,Proteasome core protein PrcA
2	AA, BA, H, I, J... (H, I, J, K, L...)	Proteasome subunit beta	polymer	240	25274.3	14	UniProt (A5U4D6) Pfam (PF00227)	Mycobacterium tuberculosis (strain ATCC 25177 / H37Ra)	20S proteasome beta subunit,Proteasome core protein PrcB
3	CA, DA, EA, FA, GA... (H, I, J, K, L...)	N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide	non-polymer		560.7	14	BIRD (PRD_002250) Chemie (7C7)
4	AB, BB, CB, DB, EB... (K, L, M, N, O...)	water	water		18.0	245	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, O, P, Q, R, S, T, U: 10 - 248 (UniProt: A5U4D5)

PDB	External Database	Details
Met 9	-	initiating methionine

H, I, J, K, L, M, N, V, W, X, Y, Z, a, b: 1 - 234 (UniProt: A5U4D6)

PDB	External Database	Details
His 235	-	expression tag
His 236	-	expression tag
His 237	-	expression tag
His 238	-	expression tag
His 239	-	expression tag
His 240	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	28
	Total formula weight	717447.3
Non-Polymers*	Number of molecules	14
	Total formula weight	7849.6
All*	Total formula weight	725296.9

*Water molecules are not included.