29UP

Mo-Nitrogenase, MoFe protein, P2+ redox state, +50 mV

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 (E, A, C, G)	Nitrogenase molybdenum-iron protein alpha chain	polymer	505	56852.7	4	UniProt (P07328)	Azotobacter vinelandii DJ	Dinitrogenase,Nitrogenase component I
2	B, D, F, H (F, B, D, H)	Nitrogenase molybdenum-iron protein beta chain	polymer	523	59535.9	4	UniProt (P07329)	Azotobacter vinelandii DJ	Dinitrogenase,Nitrogenase component I
3	DA, I, PA, T (C, E, G, A)	3-HYDROXY-3-CARBOXY-ADIPIC ACID	non-polymer		206.2	4	Chemie (HCA) PubChem (439459)
4	EA, J, QA, U (C, E, G, A)	iron-sulfur-molybdenum cluster with interstitial carbon	non-polymer		787.5	4	Chemie (ICS)
5	HA, K, SA, V (D, E, H, A)	FE(8)-S(7) CLUSTER, OXIDIZED	non-polymer		671.2	4	Chemie (1CL)
6	AA, FA, IA, JA, KA... (B, C, D, F, A...)	GLYCEROL	non-polymer		92.1	16	Chemie (GOL) PubChem (753)
7	BA, LA, M, MA, N... (B, D, F, H)	ACETATE ION	non-polymer		59.0	8	Chemie (ACT) PubChem (175)
8	NA, Q, WA (D, F, H)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG) PubChem (8117)
9	CA, GA, R, RA (B, C, F, G)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL) PubChem (312)
10	AB, BB, CB, DB, EB... (F, A, B, C, D...)	water	water		18.0	1248	Chemie (HOH)

Sequence modifications

E, A, C, G: 1 - 492 (UniProt: P07328)

PDB	External Database	Details
Met -12	-	initiating methionine
Thr -11	-	expression tag
Gly -10	-	expression tag
Ala -9	-	expression tag
Ser -8	-	expression tag
Trp -7	-	expression tag
Ser -6	-	expression tag
His -5	-	expression tag
Pro -4	-	expression tag
Gln -3	-	expression tag
Phe -2	-	expression tag
Glu -1	-	expression tag
Lys 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	465554.3
Non-Polymers*	Number of molecules	43
	Total formula weight	9065.3
All*	Total formula weight	474619.6

*Water molecules are not included.