5ABF

Structure of GH84 with ligand

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	O-GLCNACASE BT_4395	polymer	726	83507.4	1	UniProt (Q89ZI2) Pfam (PF02838) Pfam (PF07555) Pfam (PF21809) Pfam (PF18344)	BACTEROIDES THETAIOTAOMICRON	BETA-N-ACETYLGLUCOSAMINIDASE, BETA-N-ACETYLHEXOSAMINIDASE, BETA-HEXOSAMINIDASE, HEXOSAMINIDASE B, N-ACETYL-BETA-GLUCOSAMINIDASE, GLYCOSIDE HYDROLASE
2	B (B)	O-GLCNACASE BT_4395	polymer	726	83521.4	1	UniProt (Q89ZI2) Pfam (PF02838) Pfam (PF07555) Pfam (PF21809) Pfam (PF18344)	BACTEROIDES THETAIOTAOMICRON	BETA-N-ACETYLGLUCOSAMINIDASE, BETA-N-ACETYLHEXOSAMINIDASE, BETA-HEXOSAMINIDASE, HEXOSAMINIDASE B, N-ACETYL-BETA-GLUCOSAMINIDA GLUCOSAMINIDASE, GLYCOSIDE HYDROLASE
3	C, F (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	D, G (A, B)	2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide	non-polymer		274.4	2	Chemie (XRJ)
5	E (B)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
6	H, I (A, B)	water	water		18.0	318	Chemie (HOH)

Sequence modifications

A: 1 - 716 (UniProt: Q89ZI2)

PDB	External Database	Details
Met -9	-	expression tag
Gly -8	-	expression tag
Ser -7	-	expression tag
Ser -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

B: 1 - 716 (UniProt: Q89ZI2)

PDB	External Database	Details
Met -9	-	expression tag
Gly -8	-	expression tag
Ser -7	-	expression tag
Ser -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Gln 2	Asn 23	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	167028.8
Non-Polymers*	Number of molecules	5
	Total formula weight	712.9
All*	Total formula weight	167741.7

*Water molecules are not included.