4IUB

Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form - oxidized state 1

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	Ralstonia eutropha	Hydrogenlyase, Membrane-bound hydrogenase large subunit, HOXG
2	S	Uptake hydrogenase small subunit	polymer	339	37384.5	1	UniProt (P31892) Pfam (PF01058) Pfam (PF14720) In PDB	Ralstonia eutropha	Hydrogenlyase, Membrane-bound hydrogenase small subunit, HOXK
3	L	NI-FE OXIDIZED ACTIVE CENTER	non-polymer		210.6	1	Chemie (NFV)
4	L	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	L, S	PHOSPHATE ION	non-polymer		95.0	6	Chemie (PO4)
6	S	IRON/SULFUR CLUSTER	non-polymer		351.6	1	Chemie (SF4)
7	S	FE3-S4 CLUSTER	non-polymer		295.8	1	Chemie (F3S)
8	S	oxidized [Fe4-S3] cluster	non-polymer		335.6	1	Chemie (S3F)
9	S	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
10		water	water		18.0	602	Chemie (HOH)

Sequence modifications

S: 1 - 317 (UniProt: P31892)

PDB	External Database	Details
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
Arg 329	-	expression tag
Ser 330	-	expression tag
Ala 331	-	expression tag
Trp 332	-	expression tag
Ser 333	-	expression tag
His 334	-	expression tag
Pro 335	-	expression tag
Gln 336	-	expression tag
Phe 337	-	expression tag
Glu 338	-	expression tag
Lys 339	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	104631.7
Non-Polymers*	Number of molecules	12
	Total formula weight	1823.2
All*	Total formula weight	106454.9

*Water molecules are not included.