3AIM

R267E mutant of a HSL-like carboxylesterase from Sulfolobus tokodaii

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)	303aa long hypothetical esterase	polymer	323	35984.9	4	UniProt (Q976W8) Pfam (PF07859)	Sulfolobus tokodaii	Carboxylesterase
2	E, H, I (A, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	3	Chemie (MPD)
3	F, G, L, O, R (A, B, C, D)	PHOSPHATE ION	non-polymer		95.0	5	Chemie (PO4)
4	J, K, M, N, P... (B, C, D)	(4R)-2-METHYLPENTANE-2,4-DIOL	non-polymer		118.2	7	Chemie (MRD)
5	T, U, V, W (A, B, C, D)	water	water		18.0	158	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 303 (UniProt: Q976W8)

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
Glu 267	Arg 267	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	143939.5
Non-Polymers*	Number of molecules	15
	Total formula weight	1656.6
All*	Total formula weight	145596.1

*Water molecules are not included.