7BLJ

Structure of CBM BT3015C from Bacteroides thetaiotaomicron in complex with O-GalNAc core 2-Thr

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	family 32 carbohydrate-binding module from Bacteroides thetaiotaomicron	polymer	162	17917.6	1	UniProt (Q8A3D9) Pfam (PF00754) In PDB	Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / NCTC 10582 / E50 / VPI-5482)
2	B	beta-D-galactopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]2-acetamido-2-deoxy-alpha-D-galactopyranose	branched		586.5	1	In PDB GlyTouCan (G00033MO)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	A	THREONINE	non-polymer		119.1	1	Chemie (THR)
5	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
6		water	water		18.0	193	Chemie (HOH)

Sequence modifications

A: 20 - 162 (UniProt: Q8A3D9)

PDB	External Database	Details
Met 1	-	initiating methionine
Gly 2	-	expression tag
Ser 3	-	expression tag
Ser 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
Ser 11	-	expression tag
Ser 12	-	expression tag
Gly 13	-	expression tag
Pro 14	-	expression tag
Gln 15	-	expression tag
Gln 16	-	expression tag
Gly 17	-	expression tag
Leu 18	-	expression tag
Arg 19	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	17917.6
Branched	Number of molecules	1
	Total formula weight	586.5
Non-Polymers*	Number of molecules	3
	Total formula weight	221.3
All*	Total formula weight	18725.4

*Water molecules are not included.