4DFD

Crystal structure of had family enzyme bt-2542 (target efi-501088) from bacteroides thetaiotaomicron, magnesium complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Putative haloacid dehalogenase-like hydrolase	polymer	229	26821.8	2	UniProt (Q8A4Q5) Pfam (PF00702) In PDB	BACTEROIDES THETAIOTAOMICRON
2	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	A	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	A	UNKNOWN LIGAND	non-polymer			1	Chemie (UNL)
5		water	water		18.0	248	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	5
	Total formula weight	119.5
All*	Total formula weight	53763.1

*Water molecules are not included.