8UAT

Thermus scotoductus SA-01 Ene-reductase Compound 3b Complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, C, D, E, F...	NADPH dehydrogenase	polymer	369	40197.2	8	UniProt (E8PRF1) Pfam (PF00724) In PDB	Thermus scotoductus SA-01
2	B, C, D, E, F...	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	8	Chemie (FMN)
3	B, E, F, A	1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide	non-polymer		244.3	4	Chemie (W3X)
4	E, H	ISOPROPYL ALCOHOL	non-polymer		60.1	2	Chemie (IPA)
5	F	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
6	F	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
7		water	water		18.0	231	Chemie (HOH)

Sequence modifications

B, C, D, E, F, G, H, A: 4 - 349 (UniProt: E8PRF1)

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
Met 1	-	expression tag
Ala 2	-	expression tag
Leu 3	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	321577.8
Non-Polymers*	Number of molecules	16
	Total formula weight	4806.5
All*	Total formula weight	326384.3

*Water molecules are not included.