4QIJ

Crystal structure of MenB from Mycobacteria tuberculosis in complex with 1-HNA-CoA

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, E... (A, B, C, D, E...)	1,4-Dihydroxy-2-naphthoyl-CoA synthase	polymer	334	36903.3	12	UniProt (P9WNP5) Pfam (PF00378)	Mycobacterium tuberculosis H37Rv	DHNA-CoA synthase
2	M, N, O, P, Q... (A, B, C, D, E...)	1-hydroxy-2-naphthoyl-CoA	non-polymer		937.7	12	Chemie (1HA)
3	AA, BA, CA, DA, EA... (C, D, E, F, G...)	water	water		18.0	2511	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L: 1 - 314 (UniProt: P9WNP5)

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	12
	Total formula weight	442839.6
Non-Polymers*	Number of molecules	12
	Total formula weight	11252.4
All*	Total formula weight	454092.0

*Water molecules are not included.