30ZR

Prescottella amidase, S181A mutant, acetanilide soak

This is a non-PDB format compatible entry.

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)	amidase	polymer	491	52890.2	2	UniProt (A0ABW9FQ31)	Prescottella equi
2	C, G (A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS) PubChem (679)
3	D, H (A, B)	~{N}-phenylethanamide	non-polymer		135.2	2	Chemie (A1J76)
4	E, I (A, B)	FORMIC ACID	non-polymer		46.0	2	Chemie (FMT) PubChem (284)
5	F, J (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
6	K, L (A, B)	water	water		18.0	1307	Chemie (HOH)

Sequence modifications

A, B: 2 - 472 (UniProt: A0ABW9FQ31)

PDB	External Database	Details
Met -18	-	initiating methionine
Gln -17	-	expression tag
Leu -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
Gly -9	-	expression tag
Leu -8	-	expression tag
Glu -7	-	expression tag
Val -6	-	expression tag
Leu -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Gly -2	-	expression tag
Pro -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Gly 37	Asp 37	conflict
Ser 153	Thr 153	conflict
Ala 181	Ser 181	engineered mutation
Met 293	Leu 293	conflict
Asp 303	Glu 303	conflict
Val 452	Ala 452	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	105780.4
Non-Polymers*	Number of molecules	8
	Total formula weight	567.3
All*	Total formula weight	106347.6

*Water molecules are not included.