4P1X

Crystal structure of staphylococcal LUK prepore

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D, F, H (B, D, F, H)	Gamma-hemolysin component C	polymer	296	33816.5	4	UniProt (Q99RL1) Pfam (PF07968)	Staphylococcus aureus	LukS
2	B, C, E, G (A, C, E, G)	Gamma-hemolysin component B	polymer	309	35310.1	4	UniProt (Q931F3) Pfam (PF07968) UniProt (by SIFTS) (A0A0H3JX61)	Staphylococcus aureus	LukF
3	I, J, K, L (A, C, E, G)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	4	Chemie (MPD)
4	M, N, O, P, Q... (B, A, C, D, E...)	water	water		18.0	1057	Chemie (HOH)

Sequence modifications

B, D, F, H: -1 - 284 (UniProt: Q99RL1)

PDB	External Database	Details
Met -11	-	expression tag
Gly -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Ala -3	-	expression tag
Met -2	-	expression tag

A, C, E, G: 2 - 300 (UniProt: Q931F3)

PDB	External Database	Details
Met -8	-	expression tag
Gly -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Ala 0	-	expression tag
Met 1	-	expression tag
Arg 256	Cys 281	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	276506.3
Non-Polymers*	Number of molecules	4
	Total formula weight	472.7
All*	Total formula weight	276979.0

*Water molecules are not included.