7QY3

Crystal structure of the halohydrin dehalogenase HheG D114C mutant cross-linked with BMOE

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... (A, B, C, D, E...)	Putative oxidoreductase	polymer	282	29903.8	10	UniProt (A0A6C7EF96) Pfam (PF13561)	Ilumatobacter coccineus YM16-304
2	HA, K, LA, OA, Q (G, A, H, I, B)	1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)	non-polymer		220.2	5	Chemie (ME7)
3	AA, BA, CA, DA, EA... (E, F, G, A, H...)	SULFATE ION	non-polymer		96.1	31	Chemie (SO4)
4	AB, BB, CB, DB, UA... (G, H, I, J, A...)	water	water		18.0	156	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J: 1 - 262 (UniProt: A0A6C7EF96)

PDB	External Database	Details
Met -19	-	initiating methionine
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
Cys 114	Asp 114	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	299038.5
Non-Polymers*	Number of molecules	36
	Total formula weight	4078.9
All*	Total formula weight	303117.4

*Water molecules are not included.