3K5I

Crystal structure of N5-carboxyaminoimidazole synthase from aspergillus clavatus in complex with ADP and 5-aminoimadazole ribonucleotide

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	Phosphoribosyl-aminoimidazole carboxylase	polymer	403	44727.8	4	UniProt (A1CII2) Pfam (PF22660) Pfam (PF02222) Pfam (PF17769) In PDB	Aspergillus clavatus
2	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
3	A, C	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	non-polymer		207.3	2	Chemie (NHE)
4	A, B, C, D	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	4	Chemie (ADP)
5	A, B, C, D	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
6	A, B, C, D	5-AMINOIMIDAZOLE RIBONUCLEOTIDE	non-polymer		295.2	4	Chemie (AIR)
7		water	water		18.0	1130	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 383 (UniProt: A1CII2)

PDB	External Database	Details
His -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
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	178911.2
Non-Polymers*	Number of molecules	15
	Total formula weight	3424.3
All*	Total formula weight	182335.5

*Water molecules are not included.