9I0F

Revisited AvNifEN crystal structure

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G (A, C, E, G)	Nitrogenase iron-molybdenum cofactor biosynthesis protein NifE	polymer	483	53046.4	4	UniProt (C1DH03)	Azotobacter vinelandii DJ
2	B, D, F, H (B, D, F, H)	Nitrogenase iron-molybdenum cofactor biosynthesis protein NifN	polymer	458	49302.0	4	UniProt (C1DH04)	Azotobacter vinelandii DJ
3	GD, I, RE, VB (E, A, G, C)	IRON/SULFUR CLUSTER	non-polymer		351.6	4	Chemie (SF4)
4	HD, J, SE, WB (E, A, G, C)	FeFe cofactor	non-polymer		747.4	4	Chemie (S5Q)
5	FD, IF, JC, JF, K... (D, H, A, B, G...)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	27	Chemie (PEG)
6	AA, AB, AC, AD, AE... (A, B, C, D, F...)	1,2-ETHANEDIOL	non-polymer		62.1	118	Chemie (EDO)
7	NA (A)	PENTAETHYLENE GLYCOL	non-polymer		238.3	1	Chemie (1PE)
8	HF, LE, MD, PE, QA... (G, F, E, A, H...)	TRIETHYLENE GLYCOL	non-polymer		150.2	10	Chemie (PGE)
9	GC, SA, SD, TD (D, B, F)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
10	IE, LB (F, B)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
11	AG, BG, CG, DG, WF... (E, F, G, H, A...)	water	water		18.0	975	Chemie (HOH)

Sequence modifications

A, C, E, G: 1 - 475 (UniProt: C1DH03)

PDB	External Database	Details
Met -7	-	initiating methionine
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	409393.6
Non-Polymers*	Number of molecules	170
	Total formula weight	16810.9
All*	Total formula weight	426204.5

*Water molecules are not included.