5MI4

BtGH84 mutant with covalent modification by MA3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	O-GlcNAcase BT_4395	polymer	727	83601.5	1	UniProt (Q89ZI2) Pfam (PF02838) Pfam (PF07555) Pfam (PF21809) Pfam (PF18344) In PDB	Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / NCTC 10582 / E50 / VPI-5482)	Beta-N-acetylglucosaminidase,Beta-N-acetylhexosaminidase,Beta-hexosaminidase,Hexosaminidase B,N-acetyl-beta-glucosaminidase
2	A	~{N}-(4-ethoxyquinazolin-2-yl)propanamide	non-polymer		245.3	1	Chemie (7NQ)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
4	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
5		water	water		18.0	704	Chemie (HOH)

Sequence modifications

A: 2 - 716 (UniProt: Q89ZI2)

PDB	External Database	Details
Met -10	-	initiating methionine
Gly -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Gln 0	-	expression tag
Trp 1	-	expression tag
Ser 420	Cys 441	engineered mutation
Cys 550	Tyr 571	engineered mutation
Ser 654	Cys 675	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	83601.5
Non-Polymers*	Number of molecules	7
	Total formula weight	595.7
All*	Total formula weight	84197.1

*Water molecules are not included.