4BFX

Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1f) and phosphate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	PANTOTHENATE KINASE	polymer	318	36533.7	2	UniProt (P63810) Pfam (PF00485) UniProt (by SIFTS) (P9WPA7)	MYCOBACTERIUM TUBERCULOSIS	PANTOTHENIC ACID KINASE
2	C, E (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
3	D, F (A, B)	2,6-difluoro-N-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide	non-polymer		436.5	2	Chemie (ZVX)
4	G, H (A, B)	water	water		18.0	63	Chemie (HOH)

Sequence modifications

A, B: 1 - 312 (UniProt: P63810)

PDB	External Database	Details
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73067.5
Non-Polymers*	Number of molecules	4
	Total formula weight	1062.8
All*	Total formula weight	74130.3

*Water molecules are not included.