9FIH

Crystal Structure of NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions after 10 min soaking

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, Q (A, C)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
4	F, G, R, S (A, C)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5	AA, BA, CA, DA, H... (D, A, B)	SODIUM ION	non-polymer		23.0	10	Chemie (NA)
6	I, T (B, D)	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
7	J, U (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, V (B, D)	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE	non-polymer		665.4	2	Chemie (NAI)
9	L, M, W, X (B, D)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
10	EA, FA, GA, HA (A, B, C, D)	water	water		18.0	924	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	26
	Total formula weight	4285.1
All*	Total formula weight	138599.0

*Water molecules are not included.