2W55

Crystal Structure of Xanthine Dehydrogenase (E232Q variant) from Rhodobacter capsulatus in Complex with Hypoxanthine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G	XANTHINE DEHYDROGENASE	polymer	462	49420.5	4	UniProt (O54050) Pfam (PF00111) Pfam (PF01799) Pfam (PF00941) Pfam (PF03450) In PDB	RHODOBACTER CAPSULATUS
2	B, D, F, H	XANTHINE DEHYDROGENASE	polymer	777	82977.0	4	UniProt (O54051) Pfam (PF01315) Pfam (PF02738) Pfam (PF20256) In PDB	RHODOBACTER CAPSULATUS
3	G, A, C, E	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	8	Chemie (FES)
4	G, A, C, E	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	4	Chemie (FAD)
5	H, B, D, F	{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum	non-polymer		554.3	4	Chemie (XAX)
6	H, B, D, F	BARIUM ION	non-polymer		137.3	4	Chemie (BA)
7	H, B, D, F	HYPOXANTHINE	non-polymer		136.1	4	Chemie (HPA)
8		water	water		18.0	43	Chemie (HOH)

Sequence modifications

A, C, E, G: 1 - 462 (UniProt: O54050)

PDB	External Database	Details
Trp 26	Leu 26	conflict

B, D, F, H: 1 - 777 (UniProt: O54051)

PDB	External Database	Details
Gln 232	Glu 232	engineered mutation
Arg 772	Gly 772	conflict

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	529590.2
Non-Polymers*	Number of molecules	24
	Total formula weight	7859.9
All*	Total formula weight	537450.1

*Water molecules are not included.