6ZBM

Structure of the D125N mutant of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6-alpha-manno-cyclophellitol carbasugar-stabilised trisaccharide inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Alpha-1,6-mannanase	polymer	362	40929.9	1	UniProt (Q9Z4P9) UniProt (by SIFTS) (A0A6B9HEB8)	Bacillus circulans
2	B, C (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
3	D (A)	(1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol	non-polymer		338.4	1	Chemie (QE8)
4	E (A)	alpha-D-mannopyranose	non-polymer		180.2	1	Chemie (MAN)
5	F (A)	water	water		18.0	178	Chemie (HOH)

Sequence modifications

A: 35 - 375 (UniProt: Q9Z4P9)

PDB	External Database	Details
Met 14	-	initiating methionine
Gly 15	-	expression tag
Ser 16	-	expression tag
Ser 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
His 21	-	expression tag
His 22	-	expression tag
His 23	-	expression tag
Ser 24	-	expression tag
Ser 25	-	expression tag
Gly 26	-	expression tag
Leu 27	-	expression tag
Glu 28	-	expression tag
Val 29	-	expression tag
Leu 30	-	expression tag
Phe 31	-	expression tag
Gln 32	-	expression tag
Gly 33	-	expression tag
Pro 34	-	expression tag
Asn 125	Asp 125	engineered mutation
Gln 341	Arg 341	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	40929.9
Non-Polymers*	Number of molecules	4
	Total formula weight	642.6
All*	Total formula weight	41572.5

*Water molecules are not included.