6RTP

THE 3D STRUCTURE OF [NIFESE] HYDROGENASE G50T VaRIANT FROM DESULFOVIBRIO VULGARIS HILDENBOROUGH AT 1.10 ANGSTROM RESOLUTION

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Periplasmic [NiFeSe] hydrogenase, small subunit	polymer	283	30261.6	1	UniProt (Q72AS4) Pfam (PF01058) Pfam (PF14720) In PDB	Desulfovibrio vulgaris (strain Hildenborough / ATCC 29579 / DSM 644 / NCIMB 8303)
2	B	Periplasmic [NiFeSe] hydrogenase, large subunit, selenocysteine-containing	polymer	492	54469.2	1	UniProt (Q72AS3) Pfam (PF00374) In PDB	Desulfovibrio vulgaris (strain Hildenborough / ATCC 29579 / DSM 644 / NCIMB 8303)
3	A	IRON/SULFUR CLUSTER	non-polymer		351.6	3	Chemie (SF4)
4	A	oxygen-damaged SF4	non-polymer		383.6	1	Chemie (6ML)
5	A, B	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
6	B	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	1	Chemie (FCO)
7	B	NICKEL (II) ION	non-polymer		58.7	1	Chemie (NI)
8	B	FE (II) ION	non-polymer		55.8	1	Chemie (FE2)
9	B	HYDROSULFURIC ACID	non-polymer		34.1	1	Chemie (H2S)
10	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
11		water	water		18.0	799	Chemie (HOH)

Sequence modifications

B: 12 - 495 (UniProt: Q72AS3)

PDB	External Database	Details
Trp 4	-	expression tag
Ser 5	-	expression tag
His 6	-	expression tag
Pro 7	-	expression tag
Gln 8	-	expression tag
Phe 9	-	expression tag
Glu 10	-	expression tag
Lys 11	-	expression tag
Thr 50	Gly 50	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	84730.8
Non-Polymers*	Number of molecules	12
	Total formula weight	2034.8
All*	Total formula weight	86765.6

*Water molecules are not included.