6O0J

M.tb MenD with ThDP and Inhibitor bound

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D, B, C	2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase	polymer	574	60068.9	4	UniProt (P9WK11) Pfam (PF02776) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	SEPHCHC synthase,Menaquinone biosynthesis protein MenD
2	A, D, B, C	1,4-dihydroxy-2-naphthoic acid	non-polymer		204.2	4	Chemie (DNA)
3	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	A, D, C	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
5	A, D, B	FORMIC ACID	non-polymer		46.0	3	Chemie (FMT)
6	D, C	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
7	D, C	THIAMINE DIPHOSPHATE	non-polymer		425.3	2	Chemie (TPP)
8		water	water		18.0	471	Chemie (HOH)

Sequence modifications

A, D, B, C: 1 - 554 (UniProt: P9WK11)

PDB	External Database	Details
Met -19	-	initiating methionine
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	4
	Total formula weight	240275.8
Non-Polymers*	Number of molecules	16
	Total formula weight	2215.3
All*	Total formula weight	242491.1

*Water molecules are not included.