6SZK

Hydrogenase-2 variant R479K - hydrogen reduced form treated with CO

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (SSS, TTT)	Hydrogenase-2 small chain	polymer	298	32371.5	2	UniProt (P69741) Pfam (PF01058) Pfam (PF14720)	Escherichia coli (strain K12)	HYD2,Membrane-bound hydrogenase 2 small subunit,NiFe hydrogenase
2	B, D (LLL, MMM)	Hydrogenase-2 large chain	polymer	567	62529.9	2	UniProt (V0V766)	Escherichia coli 908519
3	E, G, O, Q (SSS, TTT)	IRON/SULFUR CLUSTER	non-polymer		351.6	4	Chemie (SF4)
4	F, P (SSS, TTT)	FE3-S4 CLUSTER	non-polymer		295.8	2	Chemie (F3S)
5	H, Y (SSS, MMM)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	I, T (LLL, MMM)	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	2	Chemie (FCO)
7	J, U (LLL, MMM)	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
8	K, L, R, S, V (LLL, TTT, MMM)	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG)
9	M, W (LLL, MMM)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
10	N, X (LLL, MMM)	CARBON MONOXIDE	non-polymer		28.0	2	Chemie (CMO)
11	AA, BA, CA, Z (LLL, TTT, MMM, SSS)	water	water		18.0	1453	Chemie (HOH)

Sequence modifications

SSS, TTT: -1 - 290 (UniProt: P69741)

PDB	External Database	Details
His 291	-	expression tag
His 292	-	expression tag
His 293	-	expression tag
His 294	-	expression tag
His 295	-	expression tag
His 296	-	expression tag

LLL, MMM: 1 - 567 (UniProt: V0V766)

PDB	External Database	Details
Lys 479	Arg 479	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	189802.8
Non-Polymers*	Number of molecules	21
	Total formula weight	2820.0
All*	Total formula weight	192622.7

*Water molecules are not included.