7MS1

Crystal structure of H28A mutant of Cg10062 with a covalent intermediate of the hydration of acetylenecarboxylic acid

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)	4-oxalocrotonate tautomerase	polymer	163	18971.2	2	UniProt (A0A0S2T163)	Corynebacterium glutamicum (Brevibacterium saccharolyticum)	Cis-3-chloroacrylic acid dehalogenase
2	C (A)	3-HYDROXY-PROPANOIC ACID	non-polymer		90.1	1	Chemie (3OH)
3	D (A)	water	water		18.0	1	Chemie (HOH)

Sequence modifications

A, B: 1 - 148 (UniProt: A0A0S2T163)

PDB	External Database	Details
Ala 28	His 29	engineered mutation
Glu 149	-	expression tag
Asn 150	-	expression tag
Leu 151	-	expression tag
Tyr 152	-	expression tag
Phe 153	-	expression tag
Gln 154	-	expression tag
Gly 155	-	expression tag
Leu 156	-	expression tag
Glu 157	-	expression tag
His 158	-	expression tag
His 159	-	expression tag
His 160	-	expression tag
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	37942.4
Non-Polymers*	Number of molecules	1
	Total formula weight	90.1
All*	Total formula weight	38032.4

*Water molecules are not included.