4BFS

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	PANTOTHENATE KINASE	polymer	318	36533.7	1	UniProt (P63810) Pfam (PF00485) UniProt (by SIFTS) (P9WPA7) In PDB	MYCOBACTERIUM TUBERCULOSIS	PANTOTHENIC ACID KINASE
2	A	N-[1-(5-{[2-(4-FLUOROPHENOXY)ETHYL]SULFANYL}-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE	non-polymer		468.5	1	Chemie (ZVS)
3		water	water		18.0	13	Chemie (HOH)

Sequence modifications

A: 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	1
	Total formula weight	36533.7
Non-Polymers*	Number of molecules	1
	Total formula weight	468.5
All*	Total formula weight	37002.2

*Water molecules are not included.