4C3O

Structure and function of an oxygen tolerant NiFe hydrogenase from Salmonella

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 (A, C, E)	HYDROGENASE-1 LARGE SUBUNIT	polymer	585	65148.8	3	UniProt (Q8ZPH0) Pfam (PF00374)	SALMONELLA ENTERICA SUBSP. ENTERICA SEROVAR TYPHIMURIUM STR. LT2	OXYGEN TOLERANT NIFE HYDROGENASE
2	B, D, F (B, D, F)	HYDROGENASE-1 SMALL SUBUNIT	polymer	279	30989.4	3	UniProt (Q8ZPG9) Pfam (PF01058) Pfam (PF14720)	SALMONELLA ENTERICA SUBSP. ENTERICA SEROVAR TYPHIMURIUM STR. LT2	OXYGEN TOLERANT NIFE HYDROGENASE
3	G, Q, V (A, C, E)	formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni)	non-polymer		195.6	3	Chemie (NFU)
4	H, I, J, K, W... (A, E)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
5	L, R, Y (A, C, E)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
6	AA, M, S (F, B, D)	IRON/SULFUR CLUSTER	non-polymer		351.6	3	Chemie (SF4)
7	BA, N, T (F, B, D)	FE3-S4 CLUSTER	non-polymer		295.8	3	Chemie (F3S)
8	O, U, Z (B, D, F)	FE4-S3 CLUSTER	non-polymer		319.6	3	Chemie (F4S)
9	CA, P (F, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
10	DA, EA, FA, GA, HA... (A, B, C, D, E...)	water	water		18.0	114	Chemie (HOH)

Sequence modifications

B, D, F: 1 - 269 (UniProt: Q8ZPG9)

PDB	External Database	Details
Ser 270	-	expression tag
Arg 271	-	expression tag
Ser 272	-	expression tag
His 273	-	expression tag
His 274	-	expression tag
His 275	-	expression tag
His 276	-	expression tag
His 277	-	expression tag
His 278	-	expression tag
His 279	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	288414.8
Non-Polymers*	Number of molecules	23
	Total formula weight	3965.6
All*	Total formula weight	292380.4

*Water molecules are not included.