3WWJ

Crystal structure of an engineered sitagliptin-producing transaminase, ATA-117-Rd11

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, D, E... (A, B, C, D, E...)	(R)-amine transaminase	polymer	330	36607.1	12	UniProt (F7J696) Pfam (PF01063)	Arthrobacter sp. KNK168	R-stereoselective-transaminase
2	M, N, O, P, Q... (A, B, C, D, E...)	PYRIDOXAL-5'-PHOSPHATE	non-polymer		247.1	12	Chemie (PLP)
3	AA, BA, CA, DA, EA... (C, D, E, F, G...)	water	water		18.0	1802	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L: 1 - 330 (UniProt: F7J696)

PDB	External Database	Details
Pro 8	Ser 8	engineered mutation
Phe 60	Tyr 60	engineered mutation
Tyr 61	Leu 61	engineered mutation
Thr 62	His 62	engineered mutation
Ala 65	Val 65	engineered mutation
Thr 69	Val 69	engineered mutation
Gly 81	Asp 81	engineered mutation
Ile 94	Met 94	engineered mutation
Leu 96	Ile 96	engineered mutation
Met 122	Phe 122	engineered mutation
Thr 124	Ser 124	engineered mutation
Thr 126	Ser 126	engineered mutation
Phe 136	Gly 136	engineered mutation
Ser 150	Tyr 150	engineered mutation
Cso 152	Val 152	engineered mutation
Leu 169	Ala 169	engineered mutation
Ile 199	Val 199	engineered mutation
Leu 209	Ala 209	engineered mutation
Cys 215	Gly 215	engineered mutation
Asn 217	Gly 217	engineered mutation
Pro 223	Ser 223	engineered mutation
Pro 269	Leu 269	engineered mutation
Tyr 273	Leu 273	engineered mutation
Ser 282	Thr 282	engineered mutation
Gly 284	Ala 284	engineered mutation
Ser 297	Pro 297	engineered mutation
Val 306	Ile 306	engineered mutation
Pro 321	Ser 321	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	439284.6
Non-Polymers*	Number of molecules	12
	Total formula weight	2965.7
All*	Total formula weight	442250.3

*Water molecules are not included.