9HEN

Crystal structure of the oxidized respiratory complex I subunit NuoEF from Aquifex aeolicus, double mutation V90P and V136M(NuoE), 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 (A, C)	NADH-quinone oxidoreductase subunit E	polymer	160	18603.7	2	UniProt (O66842) Pfam (PF01257)	Aquifex aeolicus VF5	NADH dehydrogenase I subunit E,NDH-1 subunit E
2	B, D (B, D)	NADH-quinone oxidoreductase subunit F	polymer	434	48523.3	2	UniProt (O66841) Pfam (PF01512) Pfam (PF22461) Pfam (PF10531) Pfam (PF10589)	Aquifex aeolicus VF5
3	E, J (A, C)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
4	F, K (B, D)	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
5	G, L (B, D)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN)
6	H, M (B, D)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
7	I, Q, R (B, D)	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
8	N, O (D)	(R,R)-2,3-BUTANEDIOL	non-polymer		90.1	2	Chemie (BU3)
9	P (D)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
10	S, T, U, V (A, B, C, D)	water	water		18.0	723	Chemie (HOH)

Sequence modifications

A, C: 1 - 160 (UniProt: O66842)

PDB	External Database	Details
Pro 90	Val 90	engineered mutation
Met 136	Val 136	engineered mutation

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

PDB	External Database	Details
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	134253.9
Non-Polymers*	Number of molecules	14
	Total formula weight	3579.1
All*	Total formula weight	137833.1

*Water molecules are not included.