4G37

Structure of cross-linked firefly luciferase in second catalytic conformation

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Luciferin 4-monooxygenase	polymer	555	61016.1	2	UniProt (P08659) Pfam (PF00501) Pfam (PF13193) In PDB	Photinus pyralis (North American firefly)	Luciferase
2	A, B	5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE	non-polymer		606.6	2	Chemie (SLU)
3	A, B	4,4'-(ethylenediimino)bis[4-oxobutyrate]	non-polymer		274.3	2	Chemie (XLX)
4	A, B	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6		water	water		18.0	190	Chemie (HOH)

Sequence modifications

A, B: 1 - 550 (UniProt: P08659)

PDB	External Database	Details
Gly -4	-	expression tag
Pro -3	-	expression tag
Leu -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Ser 81	Cys 81	engineered mutation
Cys 108	Ile 108	engineered mutation
Ala 214	Thr 214	engineered mutation
Leu 215	Ala 215	engineered mutation
Ala 216	Cys 216	engineered mutation
Ala 232	Ile 232	engineered mutation
Ser 258	Cys 258	engineered mutation
Leu 295	Phe 295	engineered mutation
Lys 354	Glu 354	engineered mutation
Ser 391	Cys 391	engineered mutation
Cys 447	Tyr 447	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	122032.3
Non-Polymers*	Number of molecules	9
	Total formula weight	2181.5
All*	Total formula weight	124213.7

*Water molecules are not included.