9NFD

cis-CaaD E114N mutant with acetylenecarboxylic acid substrate and hydration product malonic semialdehyde

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, C (B, C, A)	Cis-3-chloroacrylic acid dehalogenase	polymer	164	18552.6	3	UniProt (Q6VPE5) Pfam (PF14832)	coryneform bacterium
2	D, E (B, C)	3-oxidanylidenepropanoic acid	non-polymer		88.1	2	Chemie (FK2)
3	F (A)	prop-2-ynoic acid	non-polymer		70.0	1	Chemie (A1BXY)
4	G, H, I (B, C, A)	water	water		18.0	154	Chemie (HOH)

Sequence modifications

B, C, A: 1 - 149 (UniProt: Q6VPE5)

PDB	External Database	Details
Asn 114	Glu 115	engineered mutation
Glu 150	-	expression tag
Asn 151	-	expression tag
Leu 152	-	expression tag
Tyr 153	-	expression tag
Phe 154	-	expression tag
Gln 155	-	expression tag
Gly 156	-	expression tag
Leu 157	-	expression tag
Glu 158	-	expression tag
His 159	-	expression tag
His 160	-	expression tag
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	55657.7
Non-Polymers*	Number of molecules	3
	Total formula weight	246.2
All*	Total formula weight	55903.9

*Water molecules are not included.