4F71

Crystal structure of had family enzyme bt-2542 (target efi-501088) from Bacteroides thetaiotaomicron, wild-type protein, 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	26821.8	2	UniProt (Q8A4Q5) Pfam (PF00702)	Bacteroides thetaiotaomicron VPI-5482
2	C, G (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	D, H (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
4	E, I (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	F (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	J, K (A, B)	water	water		18.0	84	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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	53643.6
Non-Polymers*	Number of molecules	7
	Total formula weight	458.2
All*	Total formula weight	54101.8

*Water molecules are not included.