7OP6

Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol aziridine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Beta-mannosidase	polymer	849	98291.1	2	UniProt (Q8AAK6) Pfam (PF22666) Pfam (PF00703) Pfam (PF17786) Pfam (PF17753) In PDB	Bacteroides thetaiotaomicron VPI-5482
2	A, B	BROMIDE ION	non-polymer		79.9	10	Chemie (BR)
3	B, A	1,2-ETHANEDIOL	non-polymer		62.1	32	Chemie (EDO)
4	A, B	CHLORIDE ION	non-polymer		35.5	14	Chemie (CL)
5	A, B	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
6	A	beta-D-manno-configured cyclophellitol aziridine, reacted form	non-polymer		193.2	1	Chemie (JIW)
7	B	beta-D-manno-configured cyclophellitol aziridine	non-polymer		175.2	1	Chemie (JIT)
8	B	(1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol	non-polymer		178.2	1	Chemie (VKH)
9		water	water		18.0	900	Chemie (HOH)

Sequence modifications

A, B: 26 - 864 (UniProt: Q8AAK6)

PDB	External Database	Details
Met 24	-	initiating methionine
Gly 25	-	expression tag
Leu 865	-	expression tag
Glu 866	-	expression tag
His 867	-	expression tag
His 868	-	expression tag
His 869	-	expression tag
His 870	-	expression tag
His 871	-	expression tag
His 872	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	196582.3
Non-Polymers*	Number of molecules	62
	Total formula weight	3897.1
All*	Total formula weight	200479.4

*Water molecules are not included.