1YQ9

Structure of the unready 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 (A, B)	Periplasmic [NiFe] hydrogenase small subunit	polymer	264	28351.4	2	UniProt (P12943)	Desulfovibrio gigas	NiFe hydrogenlyase small chain
2	B, D (H, I)	Periplasmic [NiFe] hydrogenase large subunit	polymer	536	59658.0	2	UniProt (P12944)	Desulfovibrio gigas	NiFe hydrogenlyase large chain
3	E, G, T, V (A, B)	IRON/SULFUR CLUSTER	non-polymer		351.6	4	Chemie (SF4)
4	F, U (A, B)	FE3-S4 CLUSTER	non-polymer		295.8	2	Chemie (F3S)
5	CA, H, Q, W (I, A, H, B)	HYDROSULFURIC ACID	non-polymer		34.1	4	Chemie (H2S) PubChem (402) PubChem (5362487)
6	I, J, K, L, R... (A, H, B)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL) PubChem (753)
7	M, Y (H, I)	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI) PubChem (934)
8	N, Z (H, I)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
9	AA, O (I, H)	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	2	Chemie (FCO)
10	BA, P (I, H)	PEROXIDE ION	non-polymer		32.0	2	Chemie (PER)
11	DA, EA, FA, GA (A, H, B, I)	water	water		18.0	515	Chemie (HOH)

Sequence modifications

A, B: 1 - 264 (UniProt: P12943)

PDB	External Database	Details
Val 24	Leu 48	SEE REMARK 999
Gly 89	Arg 113	SEE REMARK 999

H, I: 2 - 536 (UniProt: P12944)

PDB	External Database	Details
Met 1	-	initiating methionine
Leu 482	His 481	SEE REMARK 999
Gly 497	Arg 496	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	176018.8
Non-Polymers*	Number of molecules	25
	Total formula weight	3280.9
All*	Total formula weight	179299.7

*Water molecules are not included.