7KBN

1.60 Angstrom resolution crystal structure of the beta-Q114A mutant of Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid at the enzyme beta site

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	42861.8	1	UniProt (P0A2K1) Pfam (PF00291)	Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
3	AA, BA, C, CA, D... (B, A)	DIMETHYL SULFOXIDE	non-polymer		78.1	19	Chemie (DMS)
4	E (A)	2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE	non-polymer		365.2	1	Chemie (F9F)
5	F, G, H, R, S... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
6	K, KA, L, LA, M... (A, B)	CHLORIDE ION	non-polymer		35.5	7	Chemie (CL)
7	N (B)	(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid	non-polymer		425.3	1	Chemie (1D0)
8	O, P, Q (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
9	OA (B)	2-AMINOPHENOL	non-polymer		109.1	1	Chemie (2AF)
10	PA, QA (B)	CESIUM ION	non-polymer		132.9	2	Chemie (CS)
11	RA, SA (A, B)	water	water		18.0	660	Chemie (HOH)

Sequence modifications

B: 1 - 397 (UniProt: P0A2K1)

PDB	External Database	Details
Ala 114	Gln 114	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71560.6
Non-Polymers*	Number of molecules	41
	Total formula weight	3651.0
All*	Total formula weight	75211.6

*Water molecules are not included.