7LGX

The aminoacrylate form of mutant beta-K167T Salmonella typhimurium Tryptophan Synthase in complex with with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, benzimidazole (BZI) at the enzyme beta site and cesium ion at the metal coordination site at 1.80 Angstrom resolution

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Tryptophan synthase alpha chain	polymer	268	28698.8	1	UniProt (P00929) Pfam (PF00290)	Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
2	B (B)	Tryptophan synthase beta chain	polymer	397	42890.8	1	UniProt (P0A2K1) Pfam (PF00291)	Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
3	C (A)	2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE	non-polymer		365.2	1	Chemie (F9F)
4	D, I, L, M, O (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
5	E, R, S, T (A, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
6	F, G (B)	BENZIMIDAZOLE	non-polymer		118.1	2	Chemie (BZI)
7	H (B)	2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid	non-polymer		316.2	1	Chemie (0JO)
8	J, K (B)	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
9	N (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
10	P, Q (B)	CESIUM ION	non-polymer		132.9	2	Chemie (CS)
11	U, V (A, B)	water	water		18.0	424	Chemie (HOH)

Sequence modifications

B: 1 - 397 (UniProt: P0A2K1)

PDB	External Database	Details
Thr 167	Lys 167	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71589.6
Non-Polymers*	Number of molecules	18
	Total formula weight	1898.0
All*	Total formula weight	73487.6

*Water molecules are not included.