9ER6

Hydrogenase-1 Ni-SI 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-1 small chain	polymer	279	30980.4	2	UniProt (P69739) Pfam (PF01058) Pfam (PF14720)	Escherichia coli	HYD1,Membrane-bound hydrogenase 1 small subunit,NiFe hydrogenase
2	B, D (L, M)	Hydrogenase-1 large chain	polymer	582	64751.4	2	UniProt (P0ACD8) Pfam (PF00374)	Escherichia coli	HYD1,Membrane-bound hydrogenase 1 large subunit,NiFe hydrogenase
3	E, R (S, T)	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
4	F, S (S, T)	FE3-S4 CLUSTER	non-polymer		295.8	2	Chemie (F3S)
5	G, T (S, T)	FE4-S3 CLUSTER	non-polymer		319.6	2	Chemie (SF3)
6	H, I, O, U, V (S, L, T)	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL)
7	AA, J, P, Q, W (M, L, T)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
8	K, X (L, M)	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	2	Chemie (FCO)
9	L, Y (L, M)	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
10	M, Z (L, M)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
11	N (L)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
12	BA, CA, DA, EA (S, L, T, M)	water	water		18.0	1343	Chemie (HOH)

Sequence modifications

S, T: 1 - 271 (UniProt: P69739)

PDB	External Database	Details
Arg 272	-	expression tag
Ser 273	-	expression tag
His 274	-	expression tag
His 275	-	expression tag
His 276	-	expression tag
His 277	-	expression tag
His 278	-	expression tag
His 279	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	191463.5
Non-Polymers*	Number of molecules	23
	Total formula weight	3151.5
All*	Total formula weight	194615.0

*Water molecules are not included.