5OEL

Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1

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	51979.8	2	UniProt (P9WJF0) Pfam (PF01565) Pfam (PF04030) UniProt (by SIFTS) (P9WJF1)	Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)	Decaprenylphospho-beta-D-ribofuranose 2-dehydrogenase,Decaprenylphosphoryl-beta-D-ribofuranose 2'-epimerase subunit DprE1,Decaprenyl-phosphoribose 2'-epimerase subunit 1,Decaprenylphosphoryl-beta-D-ribofuranose 2'-oxidase,Decaprenylphosphoryl-beta-D-ribose 2-epimerase flavoprotein subunit,FAD-dependent decaprenylphosphoryl-beta-D-ribofuranose 2-oxidase
2	C, E (A, B)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	D, F (A, B)	ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate	non-polymer		375.4	2	Chemie (1W6)
4	G, H (A, B)	water	water		18.0	41	Chemie (HOH)

Sequence modifications

A, B: 1 - 461 (UniProt: P9WJF0)

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
Cys 314	Tyr 314	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	103959.6
Non-Polymers*	Number of molecules	4
	Total formula weight	2321.9
All*	Total formula weight	106281.6

*Water molecules are not included.