7CLZ

Crystal structure of Alp1U W187F/Y247F 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 (A, B, C, D)	Putative hydrolase	polymer	339	36995.9	4	UniProt (Q1RQU8) Pfam (PF00561) UniProt (by SIFTS) (A0A0K2AJY3)	Streptomyces ambofaciens (strain ATCC 23877 / 3486 / DSM 40053 / JCM 4204 / NBRC 12836 / NRRL B-2516)	Alp1U
2	E, K, M (A, C, D)	Fluostatin C	non-polymer		324.3	3	Chemie (DY9)
3	F, H (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
4	G, I, J, O (A, B, D)	D-MALATE	non-polymer		134.1	4	Chemie (MLT)
5	L, N (C, D)	BORIC ACID	non-polymer		61.8	2	Chemie (BO3)
6	P, Q, R, S (A, B, C, D)	water	water		18.0	354	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 187	Trp 187	engineered mutation
Phe 247	Tyr 247	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	147983.5
Non-Polymers*	Number of molecules	11
	Total formula weight	1678.8
All*	Total formula weight	149662.4

*Water molecules are not included.