4P56

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM BORDETELLA BRONCHISEPTICA, TARGET EFI-510038 (BB2442), WITH BOUND (R)-MANDELATE and (S)-MANDELATE

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 (A, B, C)	Putative extracellular solute-binding protein	polymer	343	37611.0	3	UniProt (Q7WJQ1) Pfam (PF03480) UniProt (by SIFTS) (A0A0H3LM73)	Bordetella bronchiseptica	TRAP PERIPLASMIC SOLUTE BINDING PROTEIN
2	D, H (A, C)	(R)-MANDELIC ACID	non-polymer		152.1	2	Chemie (RMN)
3	E, F (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
4	G, I (B, C)	(S)-MANDELIC ACID	non-polymer		152.1	2	Chemie (SMN)
5	J, K, L (A, B, C)	water	water		18.0	916	Chemie (HOH)

Sequence modifications

A, B, C: 24 - 343 (UniProt: Q7WJQ1)

PDB	External Database	Details
Mse 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
Ser 8	-	expression tag
Ser 9	-	expression tag
Gly 10	-	expression tag
Val 11	-	expression tag
Asp 12	-	expression tag
Leu 13	-	expression tag
Gly 14	-	expression tag
Thr 15	-	expression tag
Glu 16	-	expression tag
Asn 17	-	expression tag
Leu 18	-	expression tag
Tyr 19	-	expression tag
Phe 20	-	expression tag
Gln 21	-	expression tag
Ser 22	-	expression tag
Mse 23	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	112833.0
Non-Polymers*	Number of molecules	6
	Total formula weight	908.9
All*	Total formula weight	113741.9

*Water molecules are not included.