8BTS

Nitrogenase MoFe protein from A. vinelandii alpha double mutant C45A/L158C

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, H, J)	Nitrogenase protein alpha chain	polymer	500	56425.2	4	UniProt (C1DGZ7) Pfam (PF00148) UniProt (by SIFTS) (P07328)	Azotobacter vinelandii DJ
2	B, D, F, H (B, D, I, L)	Nitrogenase molybdenum-iron protein beta chain	polymer	523	59535.9	4	UniProt (P07329) Pfam (PF11844) Pfam (PF00148)	Azotobacter vinelandii DJ	Dinitrogenase,Nitrogenase component I
3	FA, I, LA, W (H, A, J, C)	3-HYDROXY-3-CARBOXY-ADIPIC ACID	non-polymer		206.2	4	Chemie (HCA)
4	GA, J, MA, X (H, A, J, C)	iron-sulfur-molybdenum cluster with interstitial carbon	non-polymer		787.5	4	Chemie (ICS)
5	BA, CA, K, L, NA... (D, A, J, B, L...)	GLYCEROL	non-polymer		92.1	12	Chemie (GOL)
6	DA, HA, JA, M, OA... (D, H, I, A, J...)	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
7	AA, IA, N, PA (D, I, B, L)	FE(8)-S(7) CLUSTER, OXIDIZED	non-polymer		671.2	4	Chemie (1CL)
8	EA, KA, TA, V (D, I, L, B)	FE (III) ION	non-polymer		55.8	4	Chemie (FE)

Sequence modifications

A, C, H, J: 3 - 492 (UniProt: C1DGZ7)

PDB	External Database	Details
Met -7	-	initiating methionine
Thr -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
His 1	-	expression tag
His 2	-	expression tag
Ala 45	Cys 45	engineered mutation
Cys 158	Leu 158	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	463844.1
Non-Polymers*	Number of molecules	38
	Total formula weight	8948.4
All*	Total formula weight	472792.5

*Water molecules are not included.