1THZ

Crystal Structure of Avian AICAR Transformylase in Complex with a Novel Inhibitor Identified by Virtual Ligand Screening

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Bifunctional purine biosynthesis protein PURH	polymer	593	64497.7	2	UniProt (P31335) Pfam (PF02142) Pfam (PF01808)	Gallus gallus (chicken)
2	C, E (A, B)	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
3	D, F (A, B)	2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID	non-polymer		496.5	2	Chemie (326)
4	G, H (A, B)	water	water		18.0	748	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	128995.4
Non-Polymers*	Number of molecules	4
	Total formula weight	1071.1
All*	Total formula weight	130066.5

*Water molecules are not included.