6G7M

Four-site variant (Y222C, C197S, C432S, C433S) of E. coli hydrogenase-2

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-2 small chain	polymer	304	32985.2	2	UniProt (P69741) Pfam (PF01058) Pfam (PF14720)	Escherichia coli K12	HYD2,Membrane-bound hydrogenase 2 small subunit,NiFe hydrogenase
2	B, D (L, M)	Hydrogenase-2 large chain	polymer	567	62509.7	2	UniProt (P0ACE0) Pfam (PF00374)	Escherichia coli K12	HYD2,Membrane-bound hydrogenase 2 large subunit,NiFe hydrogenase
3	E, G, L, N (S, T)	IRON/SULFUR CLUSTER	non-polymer		351.6	4	Chemie (SF4)
4	F, M (S, T)	FE3-S4 CLUSTER	non-polymer		295.8	2	Chemie (F3S)
5	H, O (L, M)	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	2	Chemie (FCO)
6	I, P (L, M)	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
7	J, K, Q, R (L, M)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
8	S, T, U, V (S, L, T, M)	water	water		18.0	932	Chemie (HOH)

Sequence modifications

S, T: 1 - 296 (UniProt: P69741)

PDB	External Database	Details
Cys 222	Tyr 259	conflict
Arg 297	-	expression tag
Ser 298	-	expression tag
His 299	-	expression tag
His 300	-	expression tag
His 301	-	expression tag
His 302	-	expression tag
His 303	-	expression tag
His 304	-	expression tag

L, M: 1 - 567 (UniProt: P0ACE0)

PDB	External Database	Details
Ser 197	Cys 197	engineered mutation
Ser 432	Cys 432	engineered mutation
Ser 433	Cys 433	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	190989.8
Non-Polymers*	Number of molecules	14
	Total formula weight	2484.5
All*	Total formula weight	193474.3

*Water molecules are not included.