8UPZ

Minimal PutA proline dehydrogenase domain (design #2) complexed with (Prop-2-ynylthio)acetic acid

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)	Bifunctional protein PutA	polymer	396	43774.0	2	UniProt (F7X6I3)	Sinorhizobium meliloti SM11
2	C, F (A, B)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	D, G (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
4	E, H (A, B)	(Prop-2-ynylthio)acetic acid	non-polymer		130.2	2	Chemie (X79)
5	I, J (A, B)	water	water		18.0	582	Chemie (HOH)

Sequence modifications

A, B: 26 - 81 (UniProt: F7X6I3)

PDB	External Database	Details
Ser 25	-	expression tag

A, B: 191 - 522 (UniProt: F7X6I3)

PDB	External Database	Details
Ser 82	-	linker
Gly 83	-	linker
Ser 84	-	linker
Ser 85	-	linker
Gly 86	-	linker
Ser 87	-	linker
Met 190	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	87548.0
Non-Polymers*	Number of molecules	6
	Total formula weight	2043.7
All*	Total formula weight	89591.6

*Water molecules are not included.