7MS9

Crystal structure of E114D 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, C, D, E...	4-oxalocrotonate tautomerase	polymer	163	19024.2	12	UniProt (A0A0S2T163) Pfam (PF14832) In PDB	Corynebacterium glutamicum (Brevibacterium saccharolyticum)	Cis-3-chloroacrylic acid dehalogenase
2	A, B, H, I, K	3-HYDROXY-PROPANOIC ACID	non-polymer		90.1	5	Chemie (3OH)
3	C, D, E, F, G...	SULFATE ION	non-polymer		96.1	7	Chemie (SO4)
4		water	water		18.0	275	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L: 1 - 148 (UniProt: A0A0S2T163)

PDB	External Database	Details
Asp 114	Glu 115	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	12
	Total formula weight	228290.7
Non-Polymers*	Number of molecules	12
	Total formula weight	1122.8
All*	Total formula weight	229413.5

*Water molecules are not included.