9DTV

Structure of D141A mutant of M.tuberculosis MenD (SEPHCHC Synthase)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, D, B, C)	2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase	polymer	574	60024.9	4	UniProt (P9WK11) Pfam (PF02776)	Mycobacterium tuberculosis H37Rv	SEPHCHC synthase,Menaquinone biosynthesis protein MenD
2	E, M (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	F, K, L, N, R (A, D, B, C)	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL)
4	G, O (D, C)	THIAMINE DIPHOSPHATE	non-polymer		425.3	2	Chemie (TPP)
5	H, P (D, C)	1,4-dihydroxy-2-naphthoic acid	non-polymer		204.2	2	Chemie (DNA)
6	I (D)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
7	J, Q (D, C)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
8	S, T, U, V (A, D, B, C)	water	water		18.0	143	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
Ala 141	Asp 141	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	240099.7
Non-Polymers*	Number of molecules	14
	Total formula weight	1731.1
All*	Total formula weight	241830.8

*Water molecules are not included.