9FDJ

Crystal structure of the NuoEF variant R66G (NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions (short soak)

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	48423.2	2	UniProt (O66841) Pfam (PF01512) Pfam (PF22461) Pfam (PF10531) Pfam (PF10589)	Aquifex aeolicus VF5
3	E, S (A, C)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
4	BA, CA, F, G, H... (D, A, B, C)	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
5	I, O, V, W (A, B, C)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
6	J, X (B, D)	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
7	K, Y (B, D)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN)
8	L, Z (B, D)	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE	non-polymer		665.4	2	Chemie (NAI)
9	AA, M (D, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
10	DA, EA, FA, GA, HA... (D, B)	SODIUM ION	non-polymer		23.0	8	Chemie (NA)
11	IA, JA, KA, LA (A, B, C, D)	water	water		18.0	882	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	30
	Total formula weight	4576.9
All*	Total formula weight	138570.5

*Water molecules are not included.