5VOH

Crystal structure of engineered water-forming NADPH oxidase (TPNOX) bound to NADPH. The G159A, D177A, A178R, M179S, P184R mutant of LbNOX.

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	NADH oxidase	polymer	518	56216.8	4	UniProt (M5B0V2) Pfam (PF07992) Pfam (PF02852) In PDB	Lactobacillus brevis KB290
2	A, B, C, D	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	4	Chemie (FAD)
3	A, B, C, D	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	4	Chemie (NDP)
4	A, B, C, D	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
5	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6	A, D	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
7		water	water		18.0	281	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 450 (UniProt: M5B0V2)

PDB	External Database	Details
Met -49	-	initiating methionine
His -48	-	expression tag
His -47	-	expression tag
His -46	-	expression tag
His -45	-	expression tag
His -44	-	expression tag
His -43	-	expression tag
Ser -42	-	expression tag
Ser -41	-	expression tag
Gly -40	-	expression tag
Leu -39	-	expression tag
Val -38	-	expression tag
Pro -37	-	expression tag
Arg -36	-	expression tag
Gly -35	-	expression tag
Ser -34	-	expression tag
Gly -33	-	expression tag
Met -32	-	expression tag
Lys -31	-	expression tag
Glu -30	-	expression tag
Thr -29	-	expression tag
Ala -28	-	expression tag
Ala -27	-	expression tag
Ala -26	-	expression tag
Lys -25	-	expression tag
Phe -24	-	expression tag
Glu -23	-	expression tag
Arg -22	-	expression tag
Gln -21	-	expression tag
His -20	-	expression tag
Met -19	-	expression tag
Asp -18	-	expression tag
Ser -17	-	expression tag
Pro -16	-	expression tag
Asp -15	-	expression tag
Leu -14	-	expression tag
Gly -13	-	expression tag
Thr -12	-	expression tag
Asp -11	-	expression tag
Asp -10	-	expression tag
Asp -9	-	expression tag
Asp -8	-	expression tag
Lys -7	-	expression tag
Ala -6	-	expression tag
Met -5	-	expression tag
Ala -4	-	expression tag
Asp -3	-	expression tag
Ile -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Ala 159	Gly 177	engineered mutation
Ala 177	Asp 195	engineered mutation
Arg 178	Ala 196	engineered mutation
Ser 179	Met 197	engineered mutation
Arg 184	Pro 202	engineered mutation
Gly 451	-	expression tag
Gly 452	-	expression tag
Ser 453	-	expression tag
Gly 454	-	expression tag
Gly 455	-	expression tag
Ser 456	-	expression tag
Gly 457	-	expression tag
Gly 458	-	expression tag
Ser 459	-	expression tag
Met 460	-	expression tag
Asp 461	-	expression tag
Tyr 462	-	expression tag
Lys 463	-	expression tag
Asp 464	-	expression tag
Asp 465	-	expression tag
Asp 466	-	expression tag
Asp 467	-	expression tag
Lys 468	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	224867.3
Non-Polymers*	Number of molecules	19
	Total formula weight	6787.4
All*	Total formula weight	231654.7

*Water molecules are not included.