5OEQ

Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020

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)	Decaprenylphosphoryl-beta-D-ribose oxidase	polymer	477	52039.8	2	UniProt (I6X8C4) Pfam (PF01565) Pfam (PF04030) UniProt (by SIFTS) (P9WJF1)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
2	C, F (A, B)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	D (A)	~{N}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide	non-polymer		382.4	1	Chemie (P95)
4	E (A)	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
5	G, H (A, B)	water	water		18.0	126	Chemie (HOH)

Sequence modifications

A, B: 1 - 461 (UniProt: I6X8C4)

PDB	External Database	Details
Met -15	-	initiating methionine
Gly -14	-	expression tag
Ser -13	-	expression tag
Ser -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Ser -5	-	expression tag
Gln -4	-	expression tag
Asp -3	-	expression tag
Pro -2	-	expression tag
Asn -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	104079.7
Non-Polymers*	Number of molecules	4
	Total formula weight	2022.6
All*	Total formula weight	106102.3

*Water molecules are not included.