5NYC

A C145A mutant of Nesterenkonia AN1 amidase bound to propionitrile

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Amidase	polymer	283	30068.7	1	UniProt (D0VWZ1)	Nesterenkonia sp. 10004
2	B, C (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
3	D, E, F (A)	propanenitrile	non-polymer		55.1	3	Chemie (CNV)
4	G (A)	water	water		18.0	205	Chemie (HOH)

Sequence modifications

A: 1 - 263 (UniProt: D0VWZ1)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ala 145	Cys 145	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	30068.7
Non-Polymers*	Number of molecules	5
	Total formula weight	377.5
All*	Total formula weight	30446.2

*Water molecules are not included.