8QH7

Crystal structure of respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to reduced 3-acetylpyridine adenine dinucleotide (without reducing agent)

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	18573.6	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, T (A, C)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
4	CA, F, G, U, V (D, A, C)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
5	DA, EA, FA, H, O... (D, A, B, C)	SODIUM ION	non-polymer		23.0	9	Chemie (NA)
6	I, X (B, D)	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
7	J, Y (B, D)	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	K, Z (B, D)	ACETYL PYRIDINE ADENINE DINUCLEOTIDE, REDUCED	non-polymer		664.5	2	Chemie (AP0)
9	AA, BA, L, M, N (D, B)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
10	S (B)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	1	Chemie (BTB)
11	GA, HA, IA, JA (A, B, C, D)	water	water		18.0	1065	Chemie (HOH)

Sequence modifications

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	134193.8
Non-Polymers*	Number of molecules	28
	Total formula weight	4657.5
All*	Total formula weight	138851.3

*Water molecules are not included.