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Crystal structure of wild type OgpA from Akkermansia muciniphila in complex with an O-glycopeptide (GalGalNAc-TS) product

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	O-glycan protease	polymer	371	41856.1	1	UniProt (B2UR60) In PDB	Akkermansia muciniphila ATCC BAA-835
2	D	Glycodrosocin	polymer	19	2204.6	1	UniProt (by SIFTS) (P36193) In PDB	synthetic construct
3	B	beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose	branched		383.3	1	In PDB BIRD (PRD_900084) GlyTouCan (G00031MO)		Thomsen-Friedenreich antigen
4	A	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5	A	ACETIC ACID	non-polymer		60.1	1	Chemie (ACY)
6	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
7		water	water		18.0	94	Chemie (HOH)

Sequence modifications

A: 25 - 385 (UniProt: B2UR60)

PDB	External Database	Details
Met 24	-	initiating methionine
Gly 386	-	expression tag
Ser 387	-	expression tag
Gly 388	-	expression tag
His 389	-	expression tag
His 390	-	expression tag
His 391	-	expression tag
His 392	-	expression tag
His 393	-	expression tag
His 394	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	44060.7
Branched	Number of molecules	1
	Total formula weight	383.3
Non-Polymers*	Number of molecules	5
	Total formula weight	315.0
All*	Total formula weight	44759.1

*Water molecules are not included.