3T8A

Crystal structure of Mycobacterium tuberculosis MenB in complex with substrate analogue, OSB-NCoA

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 (A, B, C)	1,4-Dihydroxy-2-naphthoyl-CoA synthase	polymer	334	36903.3	3	UniProt (O06414) Pfam (PF00378) UniProt (by SIFTS) (P9WNP5)	Mycobacterium tuberculosis	MenB, DHNA-CoA synthase
2	D, E (B, C)	o-succinylbenzoyl-N-coenzyme A	non-polymer		954.7	2	Chemie (S0N)
3	F, G, H (A, B, C)	water	water		18.0	107	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 314 (UniProt: O06414)

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	3
	Total formula weight	110709.9
Non-Polymers*	Number of molecules	2
	Total formula weight	1909.3
All*	Total formula weight	112619.2

*Water molecules are not included.