8AO0

Solution structure of nanoFAST/HBR-DOM2 complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Photoactive yellow protein	polymer	112	12489.2	1	UniProt (P16113)	synthetic construct	PYP
2	B (A)	(5~{Z})-5-[(2,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one	non-polymer		297.4	1	Chemie (O1F) PubChem (165430659)

Sequence modifications

A: 2 - 99 (UniProt: P16113)

PDB	External Database	Details
Met 1	-	initiating methionine
Ggl 20	Glu 46	conflict
Gly 43	Cys 69	conflict
Trp 68	Tyr 94	conflict
Met 69	Thr 95	conflict
Ile 70	Phe 96	conflict
Pro 71	Asp 97	conflict
Thr 72	Tyr 98	conflict
Ser 73	Gln 99	conflict
Arg 74	Met 100	conflict
Gly 75	Thr 101	conflict
Lys 100	-	expression tag
Leu 101	-	expression tag
Ala 102	-	expression tag
Ala 103	-	expression tag
Ala 104	-	expression tag
Leu 105	-	expression tag
Glu 106	-	expression tag
His 107	-	expression tag
His 108	-	expression tag
His 109	-	expression tag
His 110	-	expression tag
His 111	-	expression tag
His 112	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	12489.2
Non-Polymers*	Number of molecules	1
	Total formula weight	297.4
All*	Total formula weight	12786.6

*Water molecules are not included.