7ODG

Crystal structure of the O2-tolerant MBH-P242C from Ralstonia eutropha in its reduced state

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (L)	Uptake hydrogenase large subunit	polymer	603	67247.2	1	UniProt (P31891) Pfam (PF00374)	Cupriavidus necator (strain ATCC 17699 / H16 / DSM 428 / Stanier 337)	Hydrogenlyase,Membrane-bound hydrogenase large subunit
2	B (S)	Uptake hydrogenase small subunit	polymer	328	36049.1	1	UniProt (P31892) Pfam (PF01058) Pfam (PF14720)	Cupriavidus necator (strain ATCC 17699 / DSM 428 / KCTC 22496 / NCIMB 10442 / H16 / Stanier 337) (Ralstonia eutropha)	Hydrogenlyase,Membrane-bound hydrogenase small subunit
3	C (L)	formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni)	non-polymer		195.6	1	Chemie (NFU)
4	D (L)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	E, F (S)	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
6	G (S)	FE4-S3 CLUSTER	non-polymer		319.6	1	Chemie (F4S)
7	H (S)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
8	I, J (L, S)	water	water		18.0	467	Chemie (HOH)

Sequence modifications

S: 1 - 317 (UniProt: P31892)

PDB	External Database	Details
Cys 242	Pro 285	engineered mutation
Arg 318	-	expression tag
Ser 319	-	expression tag
Ala 320	-	expression tag
Trp 321	-	expression tag
Ser 322	-	expression tag
His 323	-	expression tag
Pro 324	-	expression tag
Gln 325	-	expression tag
Phe 326	-	expression tag
Glu 327	-	expression tag
Lys 328	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	103296.2
Non-Polymers*	Number of molecules	6
	Total formula weight	1278.2
All*	Total formula weight	104574.5

*Water molecules are not included.