8TQV

Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403

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)	Polyketide synthase Pks13	polymer	275	30646.6	2	UniProt (I6X8D2) Pfam (PF00975)	Mycobacterium tuberculosis H37Rv
2	C, F (A, B)	4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide	non-polymer		541.6	2	Chemie (JS9)
3	D, E, G, H (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
4	I, J (A, B)	water	water		18.0	91	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	61293.2
Non-Polymers*	Number of molecules	6
	Total formula weight	1467.5
All*	Total formula weight	62760.7

*Water molecules are not included.