4CE5

First crystal structure of an (R)-selective omega-transaminase from Aspergillus terreus

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)	AT-OMEGATA	polymer	333	37279.6	2	UniProt (Q0C8G1) Pfam (PF01063)	ASPERGILLUS TERREUS	OMEGA-TRANSAMINASE
2	C, J (A, B)	PYRIDOXAL-5'-PHOSPHATE	non-polymer		247.1	2	Chemie (PLP)
3	D, K (A, B)	N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-GLUTAMIC ACID	non-polymer		378.3	2	Chemie (PDG)
4	E, F, G, H, I... (A, B)	CHLORIDE ION	non-polymer		35.5	10	Chemie (CL)
5	M (B)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
6	R, S (A, B)	water	water		18.0	1103	Chemie (HOH)

Sequence modifications

A, B: 1 - 325 (UniProt: Q0C8G1)

PDB	External Database	Details
Leu 326	-	expression tag
Glu 327	-	expression tag
His 328	-	expression tag
His 329	-	expression tag
His 330	-	expression tag
His 331	-	expression tag
His 332	-	expression tag
His 333	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	74559.2
Non-Polymers*	Number of molecules	15
	Total formula weight	1645.4
All*	Total formula weight	76204.6

*Water molecules are not included.