7NEM

Hydrogenase-2 variant R479K - anaerobically oxidised form

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (S, T)	Hydrogenase-2 small chain	polymer	298	32371.5	2	UniProt (P69741) Pfam (PF01058) Pfam (PF14720)	Escherichia coli (strain K12)	HYD2,Membrane-bound hydrogenase 2 small subunit,NiFe hydrogenase
2	B, D (L, M)	Hydrogenase-2 large chain	polymer	567	62529.9	2	UniProt (P0ACE0) Pfam (PF00374)	Escherichia coli (strain K12)	HYD2,Membrane-bound hydrogenase 2 large subunit,NiFe hydrogenase
3	E, G, M, O (S, T)	IRON/SULFUR CLUSTER	non-polymer		351.6	4	Chemie (SF4)
4	F, N (S, T)	FE3-S4 CLUSTER	non-polymer		295.8	2	Chemie (F3S)
5	H, P (L, M)	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	2	Chemie (FCO)
6	I, Q (L, M)	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
7	J, K, R, S (L, M)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
8	L, U (L, M)	OXYGEN MOLECULE	non-polymer		32.0	2	Chemie (OXY)
9	T (M)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
10	V, W, X, Y (S, L, T, M)	water	water		18.0	1321	Chemie (HOH)

Sequence modifications

S, T: 2 - 293 (UniProt: P69741)

PDB	External Database	Details
His 294	-	expression tag
His 295	-	expression tag
His 296	-	expression tag
His 297	-	expression tag
His 298	-	expression tag
His 299	-	expression tag

L, M: 1 - 567 (UniProt: P0ACE0)

PDB	External Database	Details
Lys 479	Arg 479	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	189802.8
Non-Polymers*	Number of molecules	17
	Total formula weight	2584.0
All*	Total formula weight	192386.8

*Water molecules are not included.