7DVB

D335N variant of Bt4394 in complex with 6SO3-NAG-oxazoline intermediate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Beta-N-acetylhexosaminidase	polymer	534	61750.3	4	UniProt (A0A0P0FIE8) Pfam (PF02838) Pfam (PF00728) In PDB	Bacteroides thetaiotaomicron
2	A, B, C, D	[(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate	non-polymer		283.3	4	Chemie (Q4Z)
3	D	2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose	non-polymer		301.3	1	Chemie (NGS)
4		water	water		18.0	454	Chemie (HOH)

Sequence modifications

A, B, C, D: 22 - 546 (UniProt: A0A0P0FIE8)

PDB	External Database	Details
Met 21	-	initiating methionine
Asn 335	Asp 335	engineered mutation
Leu 547	-	expression tag
Glu 548	-	expression tag
His 549	-	expression tag
His 550	-	expression tag
His 551	-	expression tag
His 552	-	expression tag
His 553	-	expression tag
His 554	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	247001.2
Non-Polymers*	Number of molecules	5
	Total formula weight	1434.3
All*	Total formula weight	248435.5

*Water molecules are not included.