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	Tryptophan synthase alpha chain	polymer	276	28579.4	4	UniProt (P9WFY1) Pfam (PF00290) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
2	B, D, F, H	Tryptophan synthase beta chain	polymer	410	43334.6	4	UniProt (P9WFX9) Pfam (PF00291) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
3	D, A, G, B, E...	FORMIC ACID	non-polymer		46.0	28	Chemie (FMT)
4	F, A, D, G, E...	MALONATE ION	non-polymer		102.0	6	Chemie (MLI)
5	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	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	F, D, G, B, H	POTASSIUM ION	non-polymer		39.1	10	Chemie (K)
8	F, D, G, B	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
9	C	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
10	D, F	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
11	H	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
12	H	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
13		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.