3USC

Crystal Structure of E. coli hydrogenase-1 in a ferricyanide-oxidized 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, P (S, T)	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
4	F, Q (S, T)	FE3-S4 CLUSTER	non-polymer		295.8	2	Chemie (F3S)
5	G, R (S, T)	FE4-S3 CLUSTER	non-polymer		319.6	2	Chemie (SF3)
6	H, S (S, T)	DODECYL-BETA-D-MALTOSIDE	non-polymer		510.6	2	Chemie (LMT)
7	I, J, T, U, V (S, T)	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL)
8	BA, K, W, X (M, S, T)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
9	L, Y (L, M)	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	2	Chemie (FCO)
10	M, Z (L, M)	NICKEL (III) ION	non-polymer		58.7	2	Chemie (3NI)
11	AA, N (M, L)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
12	O (L)	LITHIUM ION	non-polymer		6.9	1	Chemie (LI)
13	CA, DA, EA, FA (S, L, T, M)	water	water		18.0	1232	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	24
	Total formula weight	3961.5
All*	Total formula weight	207093.6

*Water molecules are not included.