2Q5L

X-ray structure of phenylpyruvate decarboxylase in complex with 2-(1-hydroxyethyl)-3-deaza-ThDP

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)	PHENYLPYRUVATE DECARBOXYLASE	polymer	565	60326.9	2	UniProt (P51852) Pfam (PF02776) Pfam (PF00205) Pfam (PF02775)	Azospirillum brasilense	PPDC
2	C, H (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	D, I (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	E, J (A, B)	2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE	non-polymer		467.4	2	Chemie (S1T)
5	F, K (A, B)	2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE	non-polymer		467.4	2	Chemie (R1T)
6	G, L (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
7	M, N (A, B)	water	water		18.0	1010	Chemie (HOH)

Sequence modifications

A, B: 1 - 545 (UniProt: P51852)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Gln 155	Leu 155	expression tag
Arg 327	Gly 327	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	120653.7
Non-Polymers*	Number of molecules	10
	Total formula weight	2173.2
All*	Total formula weight	122826.9

*Water molecules are not included.