3WB2

HcgB from Methanocaldococcus jannaschii in complex with the guanylyl-pyridinol product in a model reaction of [Fe]-hydrogenase cofactor biosynthesis

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Uncharacterized protein MJ0488	polymer	166	18871.3	4	UniProt (Q57912) Pfam (PF11576) In PDB	Methanocaldococcus jannaschii
2	A, C	5'-O-[(R)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine	non-polymer		484.4	4	Chemie (YGP)
3	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	1	Chemie (GDP)
5		water	water		18.0	136	Chemie (HOH)

Sequence modifications

A, B, C, D: 3 - 158 (UniProt: Q57912)

PDB	External Database	Details
Met 1	-	expression tag
Val 2	-	expression tag
Leu 159	-	expression tag
Glu 160	-	expression tag
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag
His 165	-	expression tag
His 166	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	75485.2
Non-Polymers*	Number of molecules	7
	Total formula weight	2429.2
All*	Total formula weight	77914.4

*Water molecules are not included.