4CQD

The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies

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)	N-ISOPROPYLAMMELIDE ISOPROPYL AMIDOHYDROLASE	polymer	423	47101.6	2	UniProt (O52063) Pfam (PF07969)	PSEUDOMONAS SP. ADP
2	C, G (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, H (A, B)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	2	Chemie (MES)
4	E, I (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	F, J (A, B)	MALONATE ION	non-polymer		102.0	2	Chemie (MLI)
6	K, L (A, B)	water	water		18.0	227	Chemie (HOH)

Sequence modifications

A, B: 1 - 403 (UniProt: O52063)

PDB	External Database	Details
Met -19	-	expression tag
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 249	His 249	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	94203.2
Non-Polymers*	Number of molecules	8
	Total formula weight	796.3
All*	Total formula weight	94999.5

*Water molecules are not included.