3NBA

Phosphopantetheine Adenylyltranferase from Mycobacterium tuberculosis in complex with adenosine-5'-[(alpha,beta)-methyleno]triphosphate (AMPCPP)

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	Phosphopantetheine adenylyltransferase	polymer	177	19331.1	4	UniProt (P0A530) Pfam (PF01467) UniProt (by SIFTS) (P9WPA5) In PDB	Mycobacterium tuberculosis	Pantetheine-phosphate adenylyltransferase, PPAT, Dephospho-CoA pyrophosphorylase
2	A, B, C, D	DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER	non-polymer		505.2	4	Chemie (APC)
3	A, C, D	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4		water	water		18.0	163	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 157 (UniProt: P0A530)

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	4
	Total formula weight	77324.4
Non-Polymers*	Number of molecules	7
	Total formula weight	2093.7
All*	Total formula weight	79418.2

*Water molecules are not included.