8POX

Crystal Structure of the C19G variant of the membrane-bound [NiFe]-Hydrogenase from Cupriavidus necator in the H2-reduced state at 1.6 A Resolution.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	L	Uptake hydrogenase large subunit	polymer	603	67247.2	1	UniProt (P31891) Pfam (PF00374) In PDB	Cupriavidus necator H16	Hydrogenlyase,Membrane-bound hydrogenase large subunit,HoxG
2	S	Uptake hydrogenase small subunit	polymer	328	35980.9	1	UniProt (P31892) Pfam (PF01058) Pfam (PF14720) In PDB	Cupriavidus necator H16	Hydrogenlyase,Membrane-bound hydrogenase small subunit,HoxK
3	L	formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni)	non-polymer		195.6	1	Chemie (NFU)
4	L	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	L, S	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
6	L	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
7	S	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
8	S	FE3-S4 CLUSTER	non-polymer		295.8	1	Chemie (F3S)
9	S	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
10	S	Fe4S4	non-polymer		351.6	1	Chemie (ER2)
11		water	water		18.0	640	Chemie (HOH)

Sequence modifications

S: 1 - 317 (UniProt: P31892)

PDB	External Database	Details
Gly 19	Cys 62	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	103228.1
Non-Polymers*	Number of molecules	11
	Total formula weight	1770.0
All*	Total formula weight	104998.1

*Water molecules are not included.