2FRV

CRYSTAL STRUCTURE OF THE OXIDIZED FORM OF NI-FE 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... (S, A, C, E, G...)	PERIPLASMIC HYDROGENASE	polymer	264	28351.4	6	UniProt (P12943)	Desulfovibrio gigas	CYTOCHROME-C3 HYDROGENASE
2	B, D, F, H, J... (L, B, D, F, H...)	PERIPLASMIC HYDROGENASE	polymer	536	59571.9	6	UniProt (P12944)	Desulfovibrio gigas	CYTOCHROME-C3 HYDROGENASE
3	AA, CA, HA, JA, M... (C, E, S, G, A...)	IRON/SULFUR CLUSTER	non-polymer		351.6	12	Chemie (SF4)
4	BA, IA, N, PA, U... (C, E, S, G, A...)	FE3-S4 CLUSTER	non-polymer		295.8	6	Chemie (F3S)
5	DA, KA, P, RA, W... (D, F, L, H, B...)	NICKEL (II) ION	non-polymer		58.7	6	Chemie (NI)
6	EA, LA, Q, SA, X... (D, F, L, H, B...)	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
7	AB, FA, MA, R, TA... (J, D, F, L, H...)	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	6	Chemie (FCO)
8	BB, GA, NA, S, UA... (J, D, F, L, H...)	OXYGEN ATOM	non-polymer		16.0	6	Chemie (O)
9	CB, DB, EB, FB, GB... (S, L, A, B, C...)	water	water		18.0	1146	Chemie (HOH)

Sequence modifications

S, A, C, E, G, I: 1 - 264 (UniProt: P12943)

PDB	External Database	Details
Val 24	Leu 48	conflict
Gly 89	Arg 113	conflict

L, B, D, F, H, J: 2 - 536 (UniProt: P12944)

PDB	External Database	Details
Lys 144	Arg 143	conflict
Gly 332	Asp 331	conflict
Leu 482	His 481	conflict
Gly 497	Arg 496	conflict

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	527540.0
Non-Polymers*	Number of molecules	42
	Total formula weight	7403.8
All*	Total formula weight	534943.8

*Water molecules are not included.