6USA

Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and GSK1-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, 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, BA, DA, EA, FA... (D, A, G, B, E...)	FORMIC ACID	non-polymer		46.0	28	Chemie (FMT)
4	DB, K, KA, KB, PA... (F, A, D, G, E...)	MALONATE ION	non-polymer		102.0	6	Chemie (MLI)
5	L, MB, QA, Y (B, H, F, D)	(3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol	non-polymer		330.8	4	Chemie (PZJ)
6	M, NB, RA, Z (B, H, F, D)	2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID	non-polymer		318.2	4	Chemie (P1T)
7	AB, BB, CB, HA, IA... (F, D, G, B, H)	POTASSIUM ION	non-polymer		39.1	10	Chemie (K)
8	EB, FB, GB, HB, LA... (F, D, G, B)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
9	V (C)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
10	CA, GA, VA (D, F)	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
11	VB (H)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
12	WB, XB (H)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
13	AC, BC, CC, DC, EC... (C, D, E, F, G...)	water	water		18.0	1234	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	68
	Total formula weight	5872.1
All*	Total formula weight	293528.3

*Water molecules are not included.