4BFZ

Crystal structure of Mycobacterium tuberculosis PanK in complex with a biaryl inhibitory compound (2b) 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-[4-(4-CYANOPHENYL)-3-{[4-(PYRIDIN-2-YL)PIPERAZIN-1-YL]METHYL}PHENOXY]-N-METHYLACETAMIDE	non-polymer		441.5	2	Chemie (ZVZ)
4	G, H (A, B)	water	water		18.0	289	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	1073.0
All*	Total formula weight	74140.4

*Water molecules are not included.