4FF6

Mycobacterium tuberculosis DprE1 in complex with CT325 - monoclinic crystal form

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)	Probable decaprenylphosphoryl-beta-D-ribose oxidase	polymer	481	52391.3	2	UniProt (P72056) Pfam (PF01565) Pfam (PF04030) UniProt (by SIFTS) (P9WJF1)	Mycobacterium tuberculosis
2	C, G (A, B)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	D, H (A, B)	3-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide	non-polymer		324.3	2	Chemie (0T4)
4	E, F, I (A, B)	IMIDAZOLE	non-polymer		69.1	3	Chemie (IMD)
5	J, K (A, B)	water	water		18.0	122	Chemie (HOH)

Sequence modifications

A, B: 1 - 461 (UniProt: P72056)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	104782.7
Non-Polymers*	Number of molecules	7
	Total formula weight	2427.0
All*	Total formula weight	107209.6

*Water molecules are not included.