3NED

mRouge

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	PAmCherry1 protein	polymer	244	27753.2	1	UniProt (D1MPT3) Pfam (PF01353) In PDB	Discosoma sp. (Sea anemone)
2	A	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
3	A	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
4		water	water		18.0	414	Chemie (HOH)

Sequence modifications

A: -3 - 231 (UniProt: D1MPT3)

PDB	External Database	Details
Met -12	-	expression tag
Gly -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
Gly -4	-	expression tag
Thr 16	Val 21	engineered mutation
Glu 26	Val 31	engineered mutation
Ala 57	Thr 62	engineered mutation
Nrq 67	Met 71	chromophore
Nrq 67	Tyr 72	chromophore
Nrq 67	Gly 73	chromophore
Lys 70	Asn 75	engineered mutation
Leu 83	Phe 88	engineered mutation
Asn 98	Lys 103	engineered mutation
Cys 146	Leu 151	engineered mutation
Met 161	Val 166	engineered mutation
Met 163	Pro 168	engineered mutation
Leu 165	Val 170	engineered mutation
Thr 195	Val 200	engineered mutation
Thr 197	Arg 202	engineered mutation
Asn 217	Ala 222	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	27753.2
Non-Polymers*	Number of molecules	4
	Total formula weight	128.0
All*	Total formula weight	27881.2

*Water molecules are not included.