9FEA

Crystal Structure of reduced NuoEF variant P228R(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	48583.4	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, U (A, C)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
4	EA, F, G, V, W (D, A, C)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
5	H, X (A, C)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	FA, GA, HA, I, IA... (D, A, B, C)	SODIUM ION	non-polymer		23.0	14	Chemie (NA)
7	AA, L (D, B)	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
8	BA, M (D, B)	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)
9	CA, N (D, B)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
10	DA, O (D, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
11	JA, KA, LA, MA (A, B, C, D)	water	water		18.0	1156	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Arg 228	Pro 228	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	134314.0
Non-Polymers*	Number of molecules	31
	Total formula weight	4355.8
All*	Total formula weight	138669.8

*Water molecules are not included.