9HEM

Crystal structure of the oxidized respiratory complex I subunit NuoEF from Aquifex aeolicus, mutation 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	18605.7	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 (PF10531) Pfam (PF10589)	Aquifex aeolicus VF5
3	E, P (A, C)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
4	F, Q, R, S, Y... (A, C, D)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
5	G, H, N, O, T (A, B, C)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
6	I (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
7	J, W (B, D)	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
8	K, U (B, D)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN)
9	L, V (B, D)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
10	M, X (B, D)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
11	AA, BA, CA, DA (A, B, C, D)	water	water		18.0	153	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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	134258.0
Non-Polymers*	Number of molecules	22
	Total formula weight	4194.7
All*	Total formula weight	138452.6

*Water molecules are not included.