26IY

Co-crystal structure of PHBDD variant L163G-T234A-R166M-E259L with N-(2-hydroxyethyl)-4-methylbenzamide

This is a non-PDB format compatible entry.

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 (A, B, C, D)	4-hydroxybenzaldehyde dehydrogenase (NADP(+))	polymer	513	55536.4	4	UniProt (Q59702)	Pseudomonas putida (Arthrobacter siderocapsulatus)	PHBDD
2	E, F, G, H (A, B, C, D)	~{N}-(2-hydroxyethyl)-4-methyl-benzamide	non-polymer		179.2	4	Chemie (A1E9Q)
3	I, J, K, L (A, B, C, D)	water	water		18.0	992	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 491 (UniProt: Q59702)

PDB	External Database	Details
Met -21	-	initiating methionine
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 163	Leu 163	engineered mutation
Met 166	Arg 166	engineered mutation
Ala 234	Thr 234	engineered mutation
Leu 259	Glu 259	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	222145.8
Non-Polymers*	Number of molecules	4
	Total formula weight	716.9
All*	Total formula weight	222862.6

*Water molecules are not included.