6Z14

Structure of Bifidobacterium bifidum GH20 beta-N-beta-N-acetylhexosaminidase E553Q variant in complex with 4MU-6SGlcNAc-derived oxazoline

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	JJJ	Beta-N-acetylhexosaminidase	polymer	1010	108488.9	1	UniProt (D4QAP5) Pfam (PF00754) Pfam (PF02838) Pfam (PF00728) In PDB	Bifidobacterium bifidum	Beta-n-acetylhexosaminidase NagZ
2	JJJ	NITRATE ION	non-polymer		62.0	1	Chemie (NO3)
3	JJJ	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		282.3	1	Chemie (B3P)
4	JJJ	[(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	1	Chemie (Q4Z)
5	JJJ	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
6		water	water		18.0	653	Chemie (HOH)

Sequence modifications

JJJ: 31 - 1031 (UniProt: D4QAP5)

PDB	External Database	Details
Met 30	-	initiating methionine
Gln 553	Glu 553	engineered mutation
Leu 1032	-	expression tag
Glu 1033	-	expression tag
His 1034	-	expression tag
His 1035	-	expression tag
His 1036	-	expression tag
His 1037	-	expression tag
His 1038	-	expression tag
His 1039	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	108488.9
Non-Polymers*	Number of molecules	5
	Total formula weight	673.6
All*	Total formula weight	109162.5

*Water molecules are not included.