6MS3

Crystal structure of the GH43 protein BlXynB mutant (K247S) from Bacillus licheniformis

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Glycoside Hydrolase Family 43	polymer	538	60427.2	2	UniProt (Q65MB6) Pfam (PF04616) Pfam (PF17851) In PDB	Bacillus licheniformis (strain ATCC 14580 / DSM 13 / JCM 2505 / NBRC 12200 / NCIMB 9375 / NRRL NRS-1264 / Gibson 46)
2	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	A, B	SULFATE ION	non-polymer		96.1	11	Chemie (SO4)
4	A, B	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	A, B	IMIDAZOLE	non-polymer		69.1	2	Chemie (IMD)
6		water	water		18.0	671	Chemie (HOH)

Sequence modifications

A, B: 1 - 515 (UniProt: Q65MB6)

PDB	External Database	Details
Met -22	-	initiating methionine
Gly -21	-	expression tag
Ser -20	-	expression tag
Ser -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Ser -12	-	expression tag
Ser -11	-	expression tag
Gly -10	-	expression tag
Leu -9	-	expression tag
Val -8	-	expression tag
Pro -7	-	expression tag
Arg -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
Met -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag
Ser 247	Lys 247	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	120854.3
Non-Polymers*	Number of molecules	17
	Total formula weight	1459.2
All*	Total formula weight	122313.5

*Water molecules are not included.