8JI4

Crystal structure of AetD in complex with 5-bromo-L-tryptophan

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	AetD	polymer	249	28650.5	2	UniProt (A0A861B387)	Aetokthonos hydrillicola Thurmond2011
2	C, J (A, B)	FE (II) ION	non-polymer		55.8	2	Chemie (FE2)
3	D, K (A, B)	5-bromo-L-tryptophan	non-polymer		283.1	2	Chemie (64X)
4	E, F, G, L, M (A, B)	NICKEL (II) ION	non-polymer		58.7	5	Chemie (NI)
5	H, I (A)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	2	Chemie (TRS)
6	N, O (A, B)	water	water		18.0	324	Chemie (HOH)

Sequence modifications

A, B: 1 - 239 (UniProt: A0A861B387)

PDB	External Database	Details
Ala -9	-	expression tag
Gly -8	-	expression tag
Ala -7	-	expression tag
Gly -6	-	expression tag
Ala -5	-	expression tag
Gly -4	-	expression tag
Ala -3	-	expression tag
Gly -2	-	expression tag
Ala -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	57301.1
Non-Polymers*	Number of molecules	11
	Total formula weight	1215.7
All*	Total formula weight	58516.8

*Water molecules are not included.