4CQH

Structure of Infrared Fluorescent Protein IFP2.0

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	BACTERIOPHYTOCHROME	polymer	329	35992.0	1	UniProt (Q9RZA4) Pfam (PF08446) Pfam (PF01590)	DEINOCOCCUS RADIODURANS	PHYTOCHROME-LIKE PROTEIN, INFRARED FLUORESCENT PROTEIN VERSION 2.0
2	B (A)	3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid	non-polymer		585.7	1	Chemie (LBV)
3	C (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4	D (A)	water	water		18.0	291	Chemie (HOH)

Sequence modifications

A: 1 - 317 (UniProt: Q9RZA4)

PDB	External Database	Details
Ala 2	Ser 2	engineered mutation
Gln 6	Leu 6	engineered mutation
Val 54	Met 54	engineered mutation
Asp 80	Glu 80	engineered mutation
Thr 87	Ala 87	engineered mutation
Gln 94	Pro 94	engineered mutation
Ala 119	Gly 119	engineered mutation
Ile 135	Thr 135	engineered mutation
Ser 168	Thr 168	engineered mutation
Met 195	Leu 195	engineered mutation
Gln 196	His 196	engineered mutation
Tyr 198	Phe 198	engineered mutation
Thr 207	Asp 207	engineered mutation
Thr 208	Ile 208	engineered mutation
Val 288	Ala 288	engineered mutation
Arg 318	Val 318	engineered mutation
Lys 319	-	expression tag
Glu 320	-	expression tag
Ala 321	-	expression tag
Glu 322	-	expression tag
Phe 323	-	expression tag
His 324	-	expression tag
His 325	-	expression tag
His 326	-	expression tag
His 327	-	expression tag
His 328	-	expression tag
His 329	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	35992.0
Non-Polymers*	Number of molecules	2
	Total formula weight	608.7
All*	Total formula weight	36600.6

*Water molecules are not included.