6WNK

Macrocyclic peptides TDI5575 that selectively inhibit the Mycobacterium tuberculosis proteasome

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...	Proteasome subunit alpha	polymer	240	25972.0	14	UniProt (A5U4D5) Pfam (PF00227) UniProt (by SIFTS) (P9WHU1) In PDB	Mycobacterium tuberculosis	20S proteasome alpha subunit,Proteasome core protein PrcA
2	H, I, J, K, L...	Proteasome subunit beta	polymer	240	25274.3	14	UniProt (A5U4D6) Pfam (PF00227) UniProt (by SIFTS) (P9WHT9) In PDB	Mycobacterium tuberculosis	20S proteasome beta subunit, Proteasome core protein PrcB
3	H, X, I, Y, J...	(12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide	non-polymer		662.7	14	BIRD (PRD_002377) Chemie (U5Y)
4	W, H, X, I, Y...	CITRIC ACID	non-polymer		192.1	14	Chemie (CIT)
5	X, O, P, Q, R...	DIMETHYLFORMAMIDE	non-polymer		73.1	8	Chemie (DMF)
6		water	water		18.0	1176	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	36
	Total formula weight	12553.0
All*	Total formula weight	730000.3

*Water molecules are not included.