9FTK

Crystal structure of trans-o-hydroxybenzylidenepyruvate hydratase-aldolase from Pseudomonas fluorescens N3 bound to substrate intermediate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, G...)	Trans-O-hydroxybenzylidenepyruvate hydratase-aldolase	polymer	346	38387.7	8	UniProt (C3KFM9) Pfam (PF00701)	Pseudomonas fluorescens	2'-hydroxybenzalpyruvate aldolase
2	AA, FA, I, JA, N... (D, G, A, H, B...)	(4R)-4-hydroxy-4-(2-hydroxyphenyl)butanoic acid	non-polymer		196.2	8	Chemie (KRN)
3	BA, CA, DA, GA, HA... (D, G, A, H, B...)	PHOSPHATE ION	non-polymer		95.0	21	Chemie (PO4)
4	EA, IA, L, MA, Q... (D, G, A, H, B...)	GLYCEROL	non-polymer		92.1	9	Chemie (GOL)
5	AB, M, NA, S, TA... (K, A, H, B, J...)	SALICYLALDEHYDE	non-polymer		122.1	7	Chemie (NK)
6	BB, CB, DB, EB, FB... (A, B, C, D, G...)	water	water		18.0	3945	Chemie (HOH)

Sequence modifications

A, B, C, D, G, H, J, K: 1 - 334 (UniProt: C3KFM9)

PDB	External Database	Details
Met -11	-	initiating methionine
Arg -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	307101.8
Non-Polymers*	Number of molecules	45
	Total formula weight	5247.7
All*	Total formula weight	312349.5

*Water molecules are not included.