6ZBW

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 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	40929.9	2	UniProt (Q9Z4P9) Pfam (PF03663) UniProt (by SIFTS) (A0A6B9HEB8)	Bacillus circulans
2	C, D (C, D)	alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose	branched		342.3	2	In PDB BIRD (PRD_900118) GlyTouCan (G77384RA)		6alpha-alpha-mannobiose
3	E, L (A, B)	(1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol	non-polymer		194.2	2	Chemie (PBW)
4	F, G, H, I, J... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
5	O, P (A, B)	water	water		18.0	437	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
Asn 125	Asp 125	engineered mutation
Gln 341	Arg 341	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	81859.8
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	10
	Total formula weight	884.9
All*	Total formula weight	83429.3

*Water molecules are not included.