7NL5

Structure 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	Alpha-1,6-mannanase	polymer	362	40930.9	1	UniProt (Q9Z4P9) Pfam (PF03663) In PDB	Bacillus circulans
2	B	alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose	branched		342.3	1	In PDB GlyTouCan (G77384RA)
3	A	(1R,6S)-5beta-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol	non-polymer		176.2	1	Chemie (UKQ)
4	A	(1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol	non-polymer		178.2	1	Chemie (UKT)
5		water	water		18.0	291	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
Gln 341	Arg 341	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	40930.9
Branched	Number of molecules	1
	Total formula weight	342.3
Non-Polymers*	Number of molecules	2
	Total formula weight	354.4
All*	Total formula weight	41627.5

*Water molecules are not included.