1YRQ

Structure of the ready oxidized form of [NiFe]-hydrogenase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G, I... (A, B, C, D, F...)	Periplasmic [NiFe] hydrogenase small subunit	polymer	264	28305.3	6	UniProt (P18187) Pfam (PF01058) Pfam (PF14720)	Desulfovibrio fructosovorans	NiFe hydrogenlyase small chain
2	B, D, F, H, J... (H, I, J, K, M...)	Periplasmic [NiFe] hydrogenase large subunit	polymer	549	59729.3	6	UniProt (P18188) Pfam (PF00374)	Desulfovibrio fructosovorans	NiFe hydrogenlyase large chain
3	AA, EA, GA, KA, M... (C, D, F, A, G...)	IRON/SULFUR CLUSTER	non-polymer		351.6	12	Chemie (SF4)
4	FA, LA, N, RA, T... (D, F, A, G, B...)	FE3-S4 CLUSTER	non-polymer		295.8	6	Chemie (F3S)
5	BA, HA, NA, P, TA... (J, K, M, H, N...)	NICKEL (II) ION	non-polymer		58.7	6	Chemie (NI)
6	CA, IA, OA, Q, UA... (J, K, M, H, N...)	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
7	DA, JA, PA, R, VA... (J, K, M, H, N...)	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	6	Chemie (FCO)
8	AB, BB, CB, DB, EB... (C, J, D, K, F...)	water	water		18.0	1886	Chemie (HOH)

Sequence modifications

A, B, C, D, F, G: 1 - 264 (UniProt: P18187)

PDB	External Database	Details
Ser 171	Glu 221	conflict

H, I, J, K, M, N: 1 - 549 (UniProt: P18188)

PDB	External Database	Details
Asn 198	Asp 198	conflict
Ser 303	Glu 303	conflict

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	528207.5
Non-Polymers*	Number of molecules	36
	Total formula weight	7307.8
All*	Total formula weight	535515.3

*Water molecules are not included.