5MG0

Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography

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	342	37024.3	1	UniProt (Q9RZA4) Pfam (PF08446) Pfam (PF01590)	Deinococcus radiodurans (strain ATCC 13939 / DSM 20539 / JCM 16871 / LMG 4051 / NBRC 15346 / NCIMB 9279 / R1 / VKM B-1422)	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)	NICKEL (II) ION	non-polymer		58.7	1	Chemie (NI)
4	D, E (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	F (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
6	G (A)	water	water		18.0	159	Chemie (HOH)

Sequence modifications

A: 1 - 321 (UniProt: Q9RZA4)

PDB	External Database	Details
Met -14	-	initiating methionine
Ala -13	-	expression tag
Leu -12	-	expression tag
Ser -11	-	expression tag
Met -10	-	expression tag
Thr -9	-	expression tag
Gly -8	-	expression tag
Gly -7	-	expression tag
Gln -6	-	expression tag
Gln -5	-	expression tag
Met -4	-	expression tag
Gly -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Ser 307	Tyr 307	engineered mutation
His 322	-	expression tag
His 323	-	expression tag
His 324	-	expression tag
His 325	-	expression tag
His 326	-	expression tag
His 327	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37024.3
Non-Polymers*	Number of molecules	5
	Total formula weight	777.3
All*	Total formula weight	37801.6

*Water molecules are not included.