9O2O

cis-CaaD E114Q mutant with a covalent hydroxypropionate intermediate of the hydration of acetylenecarboxylic acid

Replaces:  9NGN

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 (A, B, C)	Cis-3-chloroacrylic acid dehalogenase	polymer	164	18568.6	3	UniProt (Q6VPE5) Pfam (PF14832)	coryneform bacterium
2	D, E, F (A, B, C)	3-HYDROXY-PROPANOIC ACID	non-polymer		90.1	3	Chemie (3OH)
3	G, H, I (A, B, C)	water	water		18.0	215	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Gln 114	Glu 115	engineered mutation
Thr 146	Val 147	conflict
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	55705.7
Non-Polymers*	Number of molecules	3
	Total formula weight	270.2
All*	Total formula weight	55975.9

*Water molecules are not included.