9RJ9

[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant N160L

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)	Iron hydrogenase 1	polymer	584	65110.5	2	UniProt (P29166)	Clostridium pasteurianum	CpI,Fe-only hydrogenase,[Fe] hydrogenase
2	C, N (A, B)	dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+)	non-polymer		355.0	2	Chemie (402)
3	D, E, F, G, O... (A, B)	IRON/SULFUR CLUSTER	non-polymer		351.6	8	Chemie (SF4)
4	H, S (A, B)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
5	I, L, T, W, X (A, B)	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG)
6	J, K, U, V (A, B)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
7	AA, M, Y, Z (B, A)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
8	BA, CA (A, B)	water	water		18.0	921	Chemie (HOH)

Sequence modifications

A, B: 1 - 574 (UniProt: P29166)

PDB	External Database	Details
Leu 160	Asn 160	engineered mutation
Ser 575	-	expression tag
Ala 576	-	expression tag
Trp 577	-	expression tag
Ser 578	-	expression tag
His 579	-	expression tag
Pro 580	-	expression tag
Gln 581	-	expression tag
Phe 582	-	expression tag
Glu 583	-	expression tag
Lys 584	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	130220.9
Non-Polymers*	Number of molecules	25
	Total formula weight	4506.4
All*	Total formula weight	134727.3

*Water molecules are not included.