3USE

Crystal Structure of E. coli hydrogenase-1 in its as-isolated 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-1 small chain	polymer	335	36814.7	2	UniProt (P69739) Pfam (PF01058) Pfam (PF14720)	Escherichia coli
2	B, D (L, M)	Hydrogenase-1 large chain	polymer	582	64751.4	2	UniProt (P0ACD8) Pfam (PF00374)	Escherichia coli
3	E, S (S, T)	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
4	F, T (S, T)	FE3-S4 CLUSTER	non-polymer		295.8	2	Chemie (F3S)
5	G, U (S, T)	FE4-S3 CLUSTER	non-polymer		319.6	2	Chemie (F4S)
6	H, V (S, T)	FE4-S3 CLUSTER	non-polymer		319.6	2	Chemie (SF3)
7	I, W (S, T)	DODECYL-BETA-D-MALTOSIDE	non-polymer		510.6	2	Chemie (LMT)
8	EA, J, K, X, Y... (M, S, T)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
9	AA, GA, L (T, M, S)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
10	BA, M (M, L)	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	2	Chemie (FCO)
11	DA, N (M, L)	NICKEL (III) ION	non-polymer		58.7	2	Chemie (3NI)
12	CA, O (M, L)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
13	FA, P (M, L)	LITHIUM ION	non-polymer		6.9	2	Chemie (LI)
14	Q, R (L)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
15	HA, IA, JA, KA (S, L, T, M)	water	water		18.0	1257	Chemie (HOH)

Sequence modifications

S, T: 1 - 327 (UniProt: P69739)

PDB	External Database	Details
Arg 328	-	expression tag
Ser 329	-	expression tag
His 330	-	expression tag
His 331	-	expression tag
His 332	-	expression tag
His 333	-	expression tag
His 334	-	expression tag
His 335	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	203132.1
Non-Polymers*	Number of molecules	29
	Total formula weight	4913.0
All*	Total formula weight	208045.1

*Water molecules are not included.