3N59

Type II dehydroquinase from Mycobacterium Tuberculosis complexed with 3-dehydroshikimate

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...)	3-dehydroquinate dehydratase	polymer	172	18649.9	24	UniProt (P0A4Z6) Pfam (PF01220) UniProt (by SIFTS) (P9WPX7)	Mycobacterium tuberculosis	3-dehydroquinase, Type II DHQase
2	AA, CA, DA, EA, FA... (B, C, D, E, G...)	CHLORIDE ION	non-polymer		35.5	24	Chemie (CL)
3	BA, HA (C, G)	(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid	non-polymer		172.1	2	Chemie (3DS)
4	AB, BB, CB, DB, EB... (C, D, E, F, G...)	water	water		18.0	1604	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X: 0 - 146 (UniProt: P0A4Z6)

PDB	External Database	Details
Met -25	-	expression tag
Gly -24	-	expression tag
Ser -23	-	expression tag
Ser -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
Gly -13	-	expression tag
Leu -12	-	expression tag
Gln -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	24
	Total formula weight	447598.7
Non-Polymers*	Number of molecules	26
	Total formula weight	1195.1
All*	Total formula weight	448793.9

*Water molecules are not included.