6KXH

Alp1U_Y247F mutant in complex with Fluostatin C

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	Putative hydrolase	polymer	339	37034.9	4	UniProt (Q1RQU8) Pfam (PF00561) UniProt (by SIFTS) (A0A0K2AJY3) In PDB	Streptomyces ambofaciens (strain ATCC 23877 / 3486 / DSM 40053 / JCM 4204 / NBRC 12836 / NRRL B-2516)	epoxy hydrolase Alp1U
2	A, B, C, D	Fluostatin C	non-polymer		324.3	4	Chemie (DY9)
3	A, D	D-MALATE	non-polymer		134.1	2	Chemie (MLT)
4	B, C, D	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
5		water	water		18.0	770	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 319 (UniProt: Q1RQU8)

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
Phe 247	Tyr 247	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	148139.7
Non-Polymers*	Number of molecules	9
	Total formula weight	1634.3
All*	Total formula weight	149773.9

*Water molecules are not included.