6ZBX

Structure 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, B (A, B)	Alpha-1,6-mannanase	polymer	362	40930.9	2	UniProt (Q9Z4P9) Pfam (PF03663) UniProt (by SIFTS) (A0A6B9HEB8)	Bacillus circulans
2	C (E)	UNK-UNK-UNK-UNK	polymer	4	358.4	1		Bacillus circulans
3	D, H (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	E, I (A, B)	(1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol	non-polymer		194.2	2	Chemie (PBW)
5	F, J (A, B)	(1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol	non-polymer		178.2	2	Chemie (M96)
6	G, K (A, B)	alpha-D-mannopyranose	non-polymer		180.2	2	Chemie (MAN)
7	L, M, N (A, B, E)	water	water		18.0	583	Chemie (HOH)

Sequence modifications

A, B: 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
Gln 341	Arg 341	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	82220.2
Non-Polymers*	Number of molecules	8
	Total formula weight	1229.2
All*	Total formula weight	83449.3

*Water molecules are not included.