4GD3

Structure of E. coli hydrogenase-1 in complex with cytochrome b

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	S, T, Q, R	Hydrogenase-1 small chain	polymer	335	36820.7	4	UniProt (P69739) Pfam (PF01058) Pfam (PF14720) In PDB	Escherichia coli	HYD1, Membrane-bound hydrogenase 1 small subunit, NiFe hydrogenase
2	L, M, J, K	Hydrogenase-1 large chain	polymer	582	64751.4	4	UniProt (P0ACD8) Pfam (PF00374) In PDB	Escherichia coli	HYD1, Membrane-bound hydrogenase 1 large subunit, NiFe hydrogenase
3	A, B	Ni/Fe-hydrogenase 1 B-type cytochrome subunit	polymer	235	27626.3	2	UniProt (P0AAM1) Pfam (PF01292) In PDB	Escherichia coli
4	Q, S, R, T	IRON/SULFUR CLUSTER	non-polymer		351.6	8	Chemie (SF4)
5	Q, S, R, T	FE4-S3 CLUSTER	non-polymer		319.6	4	Chemie (F4S)
6	M, Q, J, S, K...	CHLORIDE ION	non-polymer		35.5	10	Chemie (CL)
7	J, L, K, M	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	4	Chemie (FCO)
8	J, L, K, M	NICKEL (II) ION	non-polymer		58.7	4	Chemie (NI)
9	M, J, L, K	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
10	R, A, T, B	DODECYL-BETA-D-MALTOSIDE	non-polymer		510.6	4	Chemie (LMT)
11	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
12		water	water		18.0	40	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Cys 242	Pro 287	engineered mutation
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	10
	Total formula weight	461540.9
Non-Polymers*	Number of molecules	40
	Total formula weight	8596.9
All*	Total formula weight	470137.8

*Water molecules are not included.