1OZ0

CRYSTAL STRUCTURE OF THE HOMODIMERIC BIFUNCTIONAL TRANSFORMYLASE AND CYCLOHYDROLASE ENZYME AVIAN ATIC IN COMPLEX WITH A MULTISUBSTRATE ADDUCT INHIBITOR BETA-DADF.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Bifunctional purine biosynthesis protein PURH	polymer	613	66669.1	2	UniProt (P31335) Pfam (PF02142) Pfam (PF01808) In PDB	Gallus gallus (chicken)	AICAR TRANSFORMYLASE-IMP CYCLOHYDROLASE, Phosphoribosylaminoimidazolecarboxamide formyltransferase, Inosinicase, IMP synthetase, ATIC
2	A, B	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
3	A, B	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
4	A, B	2-[4-((2-AMINO-4-OXO-3,4-DIHYDRO-PYRIDO[3,2-D]PYRIMIDIN-6-YLMETHYL)-{3-[5-CARBAMOYL-3-(3,4- DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-3H-IMIDAZOL-4-YL]-ACRYLOYL}-AMINO)-BENZOYLAMINO]- PENTANEDIOIC ACID	non-polymer		815.6	2	Chemie (MS1)
5		water	water		18.0	378	Chemie (HOH)

Sequence modifications

A, B: 1 - 593 (UniProt: P31335)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	133338.2
Non-Polymers*	Number of molecules	6
	Total formula weight	1899.4
All*	Total formula weight	135237.6

*Water molecules are not included.