5MEL

Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with Glc-alpha-1,3-(3R,4R,5R)-5-(hydroxymethyl)cyclohex-1,2-ene-3,4-diol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Glycosyl hydrolase family 71	polymer	385	43932.6	1	UniProt (D6D1V7) Pfam (PF16317)	Bacteroides xylanisolvens XB1A
2	B, C (A)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
3	D (A)	alpha-D-glucopyranose	non-polymer		180.2	1	Chemie (GLC)
4	E (A)	(1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol	non-polymer		144.2	1	Chemie (7LQ)
5	F (A)	water	water		18.0	346	Chemie (HOH)

Sequence modifications

A: 17 - 380 (UniProt: D6D1V7)

PDB	External Database	Details
Met -4	-	initiating methionine
Gly -3	-	expression tag
Ser -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
Ser 6	-	expression tag
Ser 7	-	expression tag
Gly 8	-	expression tag
Leu 9	-	expression tag
Val 10	-	expression tag
Pro 11	-	expression tag
Arg 12	-	expression tag
Gly 13	-	expression tag
Ser 14	-	expression tag
His 15	-	expression tag
Met 16	-	expression tag
Gln 333	Glu 333	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43932.6
Non-Polymers*	Number of molecules	4
	Total formula weight	442.4
All*	Total formula weight	44375.0

*Water molecules are not included.