7KXC

The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, sodium ion at the metal coordination site and benzimidazole (BZI) at the enzyme beta-site at 1.30 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring

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 (A0A0D6FWC1) Pfam (PF00290) UniProt (by SIFTS) (P00929)	Salmonella enterica subsp. enterica serovar Typhimurium
2	B (B)	Tryptophan synthase beta chain	polymer	397	42918.9	1	UniProt (P0A2K1) Pfam (PF00291)	Salmonella enterica subsp. enterica serovar Typhimurium
3	C (A)	2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE	non-polymer		365.2	1	Chemie (F9F)
4	D, E, K, L, M (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
5	F (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	G (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)
7	H, I (B)	BENZIMIDAZOLE	non-polymer		118.1	2	Chemie (BZI)
8	J (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
9	N (B)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
10	O (B)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
11	P, Q (A, B)	water	water		18.0	703	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71617.7
Non-Polymers*	Number of molecules	13
	Total formula weight	1542.8
All*	Total formula weight	73160.4

*Water molecules are not included.