9SQ3

Crystal structure of the Molybdenum-containing nitrogenase from Methanocaldococcus infernus refined to 1.21 A resolution - crystalline form B.

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Nitrogenase protein alpha chain	polymer	477	54738.1	2	UniProt (D5VU98)	Methanocaldococcus infernus ME
2	B, D (B, D)	Nitrogenase	polymer	462	51823.5	2	UniProt (D5VU97)	Methanocaldococcus infernus ME
3	E, Z (A, C)	3-HYDROXY-3-CARBOXY-ADIPIC ACID	non-polymer		206.2	2	Chemie (HCA)
4	AA, F (C, A)	HYDROSULFURIC ACID	non-polymer		34.1	2	Chemie (H2S)
5	BA, CA, G, H, I... (C, A, D, B)	GLYCEROL	non-polymer		92.1	16	Chemie (GOL)
6	DA, M (C, A)	iron-sulfur-molybdenum cluster with interstitial carbon	non-polymer		787.5	2	Chemie (ICS)
7	EA, N (C, A)	iron-sulfur-molybdenum cluster with interstitial carbon	non-polymer		755.4	2	Chemie (ICE)
8	FA, O (C, A)	FE(8)-S(7) CLUSTER, P1+ state conformer B	non-polymer		671.2	2	Chemie (A1JPX)
9	GA, P (C, A)	UNKNOWN LIGAND	non-polymer			2	Chemie (UNX)
10	HA, IA, Q (D, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	3	Chemie (MPD)
11	JA, R (D, B)	FE(8)-S(7) CLUSTER, P1+ state conformer A	non-polymer		671.2	2	Chemie (A1JPW)
12	U, V (B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
13	QA, RA, SA, W, X... (D, B)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
14	TA (D)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
15	UA, VA, WA, XA (A, B, C, D)	water	water		18.0	2021	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	213123.3
Non-Polymers*	Number of molecules	42
	Total formula weight	8363.3
All*	Total formula weight	221486.6

*Water molecules are not included.