6UB9

Crystal structure of tryptophan synthase from M. tuberculosis - AMINOACRYLATE- AND BRD6309-BOUND FORM

Replaces:  6DUA

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, C, E, G)	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, D, F, H)	Tryptophan synthase beta chain	polymer	410	43334.6	4	UniProt (P9WFX9) Pfam (PF00291)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
3	AA, FA, GA, I, K... (E, F, A, H, B...)	FORMIC ACID	non-polymer		46.0	15	Chemie (FMT)
4	BA, HA, J, JA, U (E, F, A, G, C)	MALONIC ACID	non-polymer		104.1	5	Chemie (MLA)
5	CA, L, LA, W (F, B, H, D)	2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID	non-polymer		318.2	4	Chemie (P1T)
6	DA, M, MA, X (F, B, H, D)	(2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile	non-polymer		336.7	4	Chemie (H9V)
7	EA, N, NA, Y (F, B, H, D)	CESIUM ION	non-polymer		132.9	4	Chemie (CS)
8	R (B)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
9	IA, Z (F, D)	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
10	PA (H)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
11	SA, TA, UA, VA, WA... (A, B, C, D, E...)	water	water		18.0	172	Chemie (HOH)

Sequence modifications

A, C, E, G: 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	36
	Total formula weight	4783.6
All*	Total formula weight	292439.8

*Water molecules are not included.