8HDF

Full length crystal structure of mycobacterium tuberculosis FadD23 in complex with ANP and PLM

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Long-chain-fatty-acid--AMP ligase FadD23	polymer	605	65202.0	1	UniProt (P9WQ47) Pfam (PF00501)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	FAAL23,Long-chain fatty acid adenylyltransferase FadD23,Long-chain-fatty-acid adenylase/transferase FadD23
2	B (A)	PALMITIC ACID	non-polymer		256.4	1	Chemie (PLM)
3	C (A)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	1	Chemie (ANP)
4	D (A)	water	water		18.0	70	Chemie (HOH)

Sequence modifications

A: 1 - 584 (UniProt: P9WQ47)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	65202.0
Non-Polymers*	Number of molecules	2
	Total formula weight	762.6
All*	Total formula weight	65964.6

*Water molecules are not included.