9OXQ

X-ray crystal structure of Beta-Barrel forming peptide macrocycle

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G (A, C, E, G)	MC4H (ORN)WFHSH(ORN)FIH(SAR)H peptide macrocycle	polymer	12	1550.8	4		synthetic construct
2	B, D, F, H (B, D, F, H)	MC4H (ORN)FIH(SAR)H(ORN)WFHSH peptide macrocycle	polymer	12	1550.8	4		synthetic construct
3	I, J, K, L, M... (A, C, E, G, H)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
4	O, P, Q, R, S... (A, B, C, D, E...)	water	water		18.0	75	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	12406.1
Non-Polymers*	Number of molecules	6
	Total formula weight	576.4
All*	Total formula weight	12982.5

*Water molecules are not included.