9FE0

Crystal Structure of reduced NuoEF variant R66G(NuoF) from Aquifex aeolicus bound to NAD+

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	NADH-quinone oxidoreductase subunit E	polymer	160	18573.6	2	UniProt (O66842) Pfam (PF01257) In PDB	Aquifex aeolicus VF5	NADH dehydrogenase I subunit E,NDH-1 subunit E
2	B, D	NADH-quinone oxidoreductase subunit F	polymer	434	48423.2	2	UniProt (O66841) Pfam (PF01512) Pfam (PF22461) Pfam (PF10531) Pfam (PF10589) In PDB	Aquifex aeolicus VF5
3	A, C	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
4	A, D, B, C	SULFATE ION	non-polymer		96.1	9	Chemie (SO4)
5	C, A, D, B	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
6	D, B	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
7	D, B	1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL	non-polymer		458.4	2	Chemie (FNR)
8	D, B	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
9	D, B	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
10	C, D, B	SODIUM ION	non-polymer		23.0	9	Chemie (NA)
11		water	water		18.0	673	Chemie (HOH)

Sequence modifications

B, D: 1 - 426 (UniProt: O66841)

PDB	External Database	Details
Gly 66	Arg 66	engineered mutation
Ala 427	-	expression tag
Gly 428	-	expression tag
His 429	-	expression tag
His 430	-	expression tag
His 431	-	expression tag
His 432	-	expression tag
His 433	-	expression tag
His 434	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	133993.6
Non-Polymers*	Number of molecules	35
	Total formula weight	4859.0
All*	Total formula weight	138852.5

*Water molecules are not included.