4F72

Crystal structure of had family enzyme bt-2542 (target efi-501088) from Bacteroides thetaiotaomicron, asp12ala mutant, complex with magnesium and inorganic phosphate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Putative haloacid dehalogenase-like hydrolase	polymer	229	26777.8	2	UniProt (Q8A4Q5) Pfam (PF00702)	Bacteroides thetaiotaomicron
2	C, F (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	D, G, H (A, B)	PHOSPHATE ION	non-polymer		95.0	3	Chemie (PO4)
4	E, I (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	J, K (A, B)	water	water		18.0	40	Chemie (HOH)

Sequence modifications

A, B: 1 - 207 (UniProt: Q8A4Q5)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	53555.6
Non-Polymers*	Number of molecules	7
	Total formula weight	517.7
All*	Total formula weight	54073.3

*Water molecules are not included.