8TWN

Crystal structure of nitrile synthase AetD with substrate bound

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	AetD	polymer	260	30640.7	1	UniProt (A0A861B387)	Aetokthonos hydrillicola
2	B (A)	(2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid	non-polymer		362.0	1	Chemie (67I)
3	C (A)	D-MALATE	non-polymer		134.1	1	Chemie (MLT)
4	D (A)	water	water		18.0	98	Chemie (HOH)

Sequence modifications

A: 1 - 239 (UniProt: A0A861B387)

PDB	External Database	Details
Mse -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Mse 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	30640.7
Non-Polymers*	Number of molecules	2
	Total formula weight	496.1
All*	Total formula weight	31136.8

*Water molecules are not included.