38YY

Crystal structure of Phosphoribosylaminoimidazole carboxylase from Burkholderia xenovorans in complex with 5'-sulfamoyladenosine

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 (A, B, C, D)	N5-carboxyaminoimidazole ribonucleotide synthase	polymer	397	42509.5	4	UniProt (Q13UJ9) Pfam (PF22660) Pfam (PF02222) Pfam (PF17769)	Paraburkholderia xenovorans LB400	N5-CAIR synthase,5-(carboxyamino)imidazole ribonucleotide synthetase
2	E, J, R, W (A, B, C, D)	[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE	non-polymer		346.3	4	Chemie (LMS) PubChem (97576)
3	F, L, S, Y (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG) PubChem (888)
4	AA, G, H, I, M... (D, A, B, C)	CHLORIDE ION	non-polymer		35.5	13	Chemie (CL) PubChem (312)
5	K, X (B, D)	MALONATE ION	non-polymer		102.0	2	Chemie (MLI) PubChem (9084)
6	BA, CA, DA, EA (A, B, C, D)	water	water		18.0	51	Chemie (HOH)

Sequence modifications

A, B, C, D: 9 - 397 (UniProt: Q13UJ9)

PDB	External Database	Details
Met 1	-	expression tag
Ala 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	170038.1
Non-Polymers*	Number of molecules	23
	Total formula weight	2147.5
All*	Total formula weight	172185.6

*Water molecules are not included.