8YCX

CryoEM structure of M. tuberculosis ClpC1P1P2 complex bound to bortezomib, conformation 2

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...)	ATP-dependent Clp protease ATP-binding subunit ClpC1	polymer	657	73270.3	6	UniProt (P9WPC9) Pfam (PF00004) Pfam (PF17871) Pfam (PF07724) Pfam (PF10431)	Mycobacterium tuberculosis H37Rv
2	G, H, I, J, K... (G, H, I, J, K...)	ATP-dependent Clp protease proteolytic subunit 2	polymer	195	21430.4	7	UniProt (P9WPC3) Pfam (PF00574)	Mycobacterium tuberculosis H37Rv	Endopeptidase Clp 2
3	N, O, P, Q, R... (N, O, P, Q, R...)	ATP-dependent Clp protease proteolytic subunit 1	polymer	178	19383.1	7	UniProt (P9WPC5) Pfam (PF00574)	Mycobacterium tuberculosis H37Rv	Endopeptidase Clp 1
4	U (U)	Beta-casein	polymer	23	2493.1	1	UniProt (Q9TSI0) UniProt (by SIFTS) (P02666)	Bos grunniens (domestic yak)
5	IA, KA, MA, V (D, E, F, A)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	4	Chemie (ADP)
6	BA, CA, FA, GA, LA... (B, C, E, A)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	7	Chemie (ATP)
7	AA, DA, EA, HA, JA... (B, C, D, A)	MAGNESIUM ION	non-polymer		24.3	7	Chemie (MG)
8	AB, NA, OA, PA, QA... (T, G, H, I, J...)	N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE	non-polymer		384.2	14	Chemie (BO2)

Sequence modifications

A, B, C, D, E, F: 168 - 824 (UniProt: P9WPC9)

PDB	External Database	Details
Ala 288	Glu 288	engineered mutation
Ser 444	Phe 444	engineered mutation
Ala 626	Glu 626	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	21
	Total formula weight	727809.7
Non-Polymers*	Number of molecules	32
	Total formula weight	10808.5
All*	Total formula weight	738618.2

*Water molecules are not included.