9T3K

Crystal Structure of Phenylalanine Ammonia Lyase (PAL) from Petroselinum crispum bound to m-CF3 cinnamic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Phenylalanine ammonia-lyase 1	polymer	740	80985.9	2	UniProt (P24481)	Petroselinum crispum (parsley)
2	C, F (A, B)	(~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid	non-polymer		216.2	2	Chemie (LRW) PubChem (719451)
3	D, G (A, B)	(2R)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid	non-polymer		233.2	2	Chemie (FXC) PubChem (7005132)
4	E (B)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	H, I (A, B)	water	water		18.0	828	Chemie (HOH)

Sequence modifications

A, B: 1 - 716 (UniProt: P24481)

PDB	External Database	Details
Met -25	-	initiating methionine
Gly -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
Ser -13	-	expression tag
Ser -12	-	expression tag
Gly -11	-	expression tag
His -10	-	expression tag
Ile -9	-	expression tag
Asp -8	-	expression tag
Asp -7	-	expression tag
Asp -6	-	expression tag
Asp -5	-	expression tag
Lys -4	-	expression tag
His -3	-	expression tag
Met -2	-	expression tag
Leu -1	-	expression tag
Glu 0	-	expression tag
Mdo 202	Ala 202	chromophore
Mdo 202	Ser 203	chromophore
Mdo 202	Gly 204	chromophore
Val 460	Ile 460	engineered mutation
Ser 704	Cys 704	engineered mutation
Ser 716	Cys 716	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	161971.9
Non-Polymers*	Number of molecules	5
	Total formula weight	960.8
All*	Total formula weight	162932.6

*Water molecules are not included.