4AO4

Structural Determinants of the beta-Selectivity of a Bacterial Aminotransferase

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)	Beta-transaminase	polymer	465	49592.8	3	UniProt (A3EYF7)	Mesorhizobium sp. LUK
2	D, G, L (A, B, C)	(3R)-3-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-METHYLHEXANOIC ACID	non-polymer		376.3	3	Chemie (PLK)
3	E, F, H, I, J... (A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
4	O, P, Q (A, B, C)	water	water		18.0	626	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 445 (UniProt: A3EYF7)

PDB	External Database	Details
Met -19	-	initiating methionine
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

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	148778.4
Non-Polymers*	Number of molecules	11
	Total formula weight	1625.6
All*	Total formula weight	150403.9

*Water molecules are not included.