6DWE

Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and BRD0059-bound form

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G (A, G, E, C)	Tryptophan synthase alpha chain	polymer	276	28579.4	4	UniProt (P9WFY1) Pfam (PF00290)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
2	B, D, F, H (B, H, F, D)	Tryptophan synthase beta chain	polymer	410	43334.6	4	UniProt (P9WFX9) Pfam (PF00291)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
3	DB, I, NA, X (C, A, E, G)	MALONATE ION	non-polymer		102.0	4	Chemie (MLI)
4	AA, BA, EA, EB, FA... (G, H, C, D, A...)	FORMIC ACID	non-polymer		46.0	33	Chemie (FMT)
5	CA, FB, L, OA (H, D, B, F)	2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID	non-polymer		318.2	4	Chemie (P1T)
6	DA, GB, HB, M, N... (H, D, B, F)	CESIUM ION	non-polymer		132.9	9	Chemie (CS)
7	AB, JA, PB, V (F, H, D, B)	(2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile	non-polymer		316.3	4	Chemie (HDJ)
8	KA, LA, W (H, B)	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
9	CB, MA (F, H)	MALONIC ACID	non-polymer		104.1	2	Chemie (MLA)
10	BB (F)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
11	QB (D)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
12	RB, SB, TB, UB, VB... (A, B, G, H, E...)	water	water		18.0	761	Chemie (HOH)

Sequence modifications

A, G, E, C: 1 - 270 (UniProt: P9WFY1)

PDB	External Database	Details
His 271	-	expression tag
His 272	-	expression tag
His 273	-	expression tag
His 274	-	expression tag
His 275	-	expression tag
His 276	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	287656.2
Non-Polymers*	Number of molecules	61
	Total formula weight	6258.8
All*	Total formula weight	293915.0

*Water molecules are not included.