2FHH

Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with a peptidyl boronate inhibitor MLN-273

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, AA, C, E, G... (A, B, D, F, I...)	20S proteasome, alpha and beta subunits	polymer	251	27199.3	14	GenBank (76783992) Pfam (PF00227) UniProt (by SIFTS) (P9WHU1)	Mycobacterium tuberculosis
2	B, BA, D, F, H... (H, C, E, G, J...)	proteasome, beta subunit	polymer	240	25274.3	14	GenBank (13881852) Pfam (PF00227) UniProt (by SIFTS) (P9WHT9)	Mycobacterium tuberculosis
3	CA, DA, EA, FA, GA... (H, C, E, G, J...)	(1R)-3-METHYL-1-{[N-(MORPHOLIN-4-YLCARBONYL)-3-(1-NAPHTHYL)-D-ALANYL]AMINO}BUTYLBORONIC ACID	non-polymer		441.3	14	Chemie (M1N)
4	AB, BB, CB, DB, EB... (K, L, M, N, O...)	water	water		18.0	321	Chemie (HOH)

Sequence modifications

A, B, D, F, I, K, M, O, Q, S, U, W, Y, 1: 2 - 248 (GenBank: 76783992)

PDB	External Database	Details
Met -2	-	initiating methionine
Asn -1	-	cloning artifact
Ser 0	-	cloning artifact
Ser 1	-	cloning artifact

H, C, E, G, J, L, N, P, R, T, V, X, Z, 2: 301 - 534 (GenBank: 13881852)

PDB	External Database	Details
His 535	-	expression tag
His 536	-	expression tag
His 537	-	expression tag
His 538	-	expression tag
His 539	-	expression tag
His 540	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	28
	Total formula weight	734629.9
Non-Polymers*	Number of molecules	14
	Total formula weight	6178.6
All*	Total formula weight	740808.4

*Water molecules are not included.