9ERC

Hydrogenase-2 Ni-Li state

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	HYD2,Membrane-bound hydrogenase 2 small subunit,NiFe hydrogenase
2	B, D (L, M)	Hydrogenase-2 large chain	polymer	567	62557.9	2	UniProt (P0ACE0) Pfam (PF00374)	Escherichia coli	HYD2,Membrane-bound hydrogenase 2 large subunit,NiFe hydrogenase
3	E, G, W, Y (S, T)	IRON/SULFUR CLUSTER	non-polymer		351.6	4	Chemie (SF4)
4	F, X (S, T)	FE3-S4 CLUSTER	non-polymer		295.8	2	Chemie (F3S)
5	AA, EA, FA, GA, H... (M, S, L, T)	GLYCEROL	non-polymer		92.1	15	Chemie (GOL)
6	DA, JA, K, KA, O... (M, S, L)	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG)
7	BA, M (M, L)	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	2	Chemie (FCO)
8	CA, N (M, L)	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
9	LA, MA, NA, OA (S, L, T, M)	water	water		18.0	1344	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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	189858.8
Non-Polymers*	Number of molecules	33
	Total formula weight	3963.2
All*	Total formula weight	193822.0

*Water molecules are not included.