5BYR

Semisynthetic [FeFe]-hydrogenase CpI with propane-dithiolato-bridged [2Fe] cofactor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Iron hydrogenase 1	polymer	584	65111.4	2	UniProt (P29166) Pfam (PF13510) Pfam (PF12838) Pfam (PF02906) Pfam (PF02256) In PDB	Clostridium pasteurianum	CpI,Fe-only hydrogenase,[Fe] hydrogenase
2	A, B	IRON/SULFUR CLUSTER	non-polymer		351.6	8	Chemie (SF4)
3	A, B	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
4	A, B	bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~S~1~,S~3~:2kappa~2~S~1~,S~3~] diiron(2+)	non-polymer		354.0	2	Chemie (4WW)
5	A, B	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG)
6	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
7		water	water		18.0	843	Chemie (HOH)

Sequence modifications

A, B: 1 - 574 (UniProt: P29166)

PDB	External Database	Details
Ser 575	-	expression tag
Ala 576	-	expression tag
Trp 577	-	expression tag
Ser 578	-	expression tag
His 579	-	expression tag
Pro 580	-	expression tag
Gln 581	-	expression tag
Phe 582	-	expression tag
Glu 583	-	expression tag
Lys 584	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	130222.8
Non-Polymers*	Number of molecules	19
	Total formula weight	4178.4
All*	Total formula weight	134401.2

*Water molecules are not included.