6G94

Structure of E. coli hydrogenase-1 C19G variant 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	36768.6	4	UniProt (P69739) Pfam (PF01058) Pfam (PF14720) In PDB	Escherichia coli K-12	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 (strain K12)	HYD1,Membrane-bound hydrogenase 1 large subunit,NiFe hydrogenase
3	A, B	Probable Ni/Fe-hydrogenase 1 B-type cytochrome subunit	polymer	235	27626.3	2	UniProt (P0AAM1) Pfam (PF01292) In PDB	Escherichia coli K-12
4	R, S, T, Q	IRON/SULFUR CLUSTER	non-polymer		351.6	4	Chemie (SF4)
5	R, S, T, Q	FE3-S4 CLUSTER	non-polymer		295.8	4	Chemie (F3S)
6	Q, R, S, T	Fe4S4	non-polymer		351.6	4	Chemie (ER2)
7	J, K, L, M	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	4	Chemie (FCO)
8	J, K, L, M	NICKEL (II) ION	non-polymer		58.7	4	Chemie (NI)
9	J, K, L, M	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
10	J, K, L, M	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
11	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
12		water	water		18.0	702	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Gly 19	Cys 64	conflict
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	461332.4
Non-Polymers*	Number of molecules	30
	Total formula weight	6246.6
All*	Total formula weight	467579.1

*Water molecules are not included.