4O8G

Structure of Infrared Fluorescent Protein 1.4

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	35889.0	1	UniProt (Q9RZA4) Pfam (PF08446) Pfam (PF01590)	Deinococcus radiodurans R1	Phytochrome-like protein
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)	3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid	non-polymer		585.7	1	Chemie (LBW)
4	D (A)	water	water		18.0	227	Chemie (HOH)

Sequence modifications

A: 1 - 323 (UniProt: Q9RZA4)

PDB	External Database	Details
Ala 2	Ser 2	conflict
Val 54	Met 54	engineered mutation
Ala 119	Gly 119	engineered mutation
Ile 135	Thr 135	conflict
Met 186	Val 186	engineered mutation
Met 195	Leu 195	engineered mutation
Gln 196	His 196	engineered mutation
His 207	Asp 207	engineered mutation
Thr 208	Ile 208	engineered mutation
Val 288	Ala 288	engineered mutation
Glu 307	Tyr 307	engineered mutation
Lys 311	Leu 311	engineered mutation
Gly 314	Leu 314	engineered mutation
Arg 318	Val 318	engineered mutation
Leu 322	Ala 322	conflict
Glu 323	Asp 323	conflict
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	35889.0
Non-Polymers*	Number of molecules	2
	Total formula weight	1171.3
All*	Total formula weight	37060.3

*Water molecules are not included.