9QGE

Crystal structure of an NADH-accepting ene reductase variant NostocER1-L1,5 mutant D352K

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	All1865 protein	polymer	375	40738.4	2	UniProt (Q8YVV8)	Nostoc sp. PCC 7120 = FACHB-418
2	C, F (A, B)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN)
3	D, G (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	E, I (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	H (B)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
6	J, K (A, B)	water	water		18.0	882	Chemie (HOH)

Sequence modifications

A, B: 12 - 375 (UniProt: Q8YVV8)

PDB	External Database	Details
Met 1	-	initiating methionine
Gly 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
Gly 9	-	expression tag
Ser 10	-	expression tag
Gly 11	-	expression tag
Ser 40	Gln 67	conflict
Leu 243	Ser 270	conflict
Thr 244	Gly 271	conflict
Leu 246	Phe 273	conflict
Gly 248	Asp 275	conflict
Cys 249	Ile 276	conflict
Val 250	Arg 277	conflict
Lys 352	Asp 379	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	81476.9
Non-Polymers*	Number of molecules	7
	Total formula weight	1130.7
All*	Total formula weight	82607.6

*Water molecules are not included.