8E71

Staphylococcus aureus ClpP in complex with compound 3471

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 proteolytic subunit	polymer	203	22607.7	14	UniProt (Q2G036) Pfam (PF00574)	Staphylococcus aureus subsp. aureus NCTC 8325	Endopeptidase Clp
2	AA, BA, DA, FA, HA... (G, I, K, L, M...)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	16	Chemie (MPD)
3	CA, EA, GA, IA, KA... (G, I, K, L, M...)	(5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide	non-polymer		474.5	14	Chemie (USU)
4	AB, BB, CB, DB, EB... (K, L, M, N, S...)	water	water		18.0	2442	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, I, K, L, M, N, S, T: 1 - 195 (UniProt: Q2G036)

PDB	External Database	Details
Leu 196	-	expression tag
Glu 197	-	expression tag
His 198	-	expression tag
His 199	-	expression tag
His 200	-	expression tag
His 201	-	expression tag
His 202	-	expression tag
His 203	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	14
	Total formula weight	316507.6
Non-Polymers*	Number of molecules	30
	Total formula weight	8534.2
All*	Total formula weight	325041.8

*Water molecules are not included.