8Q0T

Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Polyketide synthase Pks13	polymer	286	31777.7	2	UniProt (I6X8D2) Pfam (PF00975) In PDB	Mycobacterium tuberculosis
2	A, B	3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide	non-polymer		413.4	2	Chemie (IJJ)
3		water	water		18.0	301	Chemie (HOH)

Sequence modifications

A, B: 1451 - 1733 (UniProt: I6X8D2)

PDB	External Database	Details
Ser 1448	-	expression tag
Asn 1449	-	expression tag
Ala 1450	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	63555.5
Non-Polymers*	Number of molecules	2
	Total formula weight	826.8
All*	Total formula weight	64382.3

*Water molecules are not included.