9FIL

Crystal Structure of reduced NuoEF variant E222K(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 (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	48523.4	2	UniProt (O66841) Pfam (PF01512) Pfam (PF22461) Pfam (PF10531) Pfam (PF10589)	Aquifex aeolicus VF5	NADH dehydrogenase I subunit F,NDH-1 subunit F
3	E, R (A, C)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
4	AA, BA, F, M, N... (D, A, B, C)	SODIUM ION	non-polymer		23.0	10	Chemie (NA)
5	G, U (B, D)	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
6	H, V (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)
7	I, W (B, D)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
8	J, K, X (B, D)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
9	L, Y, Z (B, D)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
10	CA, DA, EA, FA (A, B, C, D)	water	water		18.0	418	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Lys 222	Glu 222	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	134194.0
Non-Polymers*	Number of molecules	24
	Total formula weight	3911.0
All*	Total formula weight	138105.0

*Water molecules are not included.