8R71

Polysaccharide lyase BtPL33HA (BT4410) Y291A with HAdp4 collected at 1.22 A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Heparinase	polymer	644	73568.5	2	UniProt (Q89ZG7) Pfam (PF07940)	Bacteroides thetaiotaomicron VPI-5482
2	C, D (C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		600.5	2	In PDB GlyTouCan (G63629SO)
3	E, G (A, B)	polyethylene glycol	non-polymer		662.8	2	Chemie (P4K)
4	F, H (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5	I, J (A, B)	water	water		18.0	638	Chemie (HOH)

Sequence modifications

A, B: 16 - 636 (UniProt: Q89ZG7)

PDB	External Database	Details
Met -7	-	initiating methionine
Gly -6	-	expression tag
Ser -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
Ser 3	-	expression tag
Ser 4	-	expression tag
Gly 5	-	expression tag
Leu 6	-	expression tag
Val 7	-	expression tag
Pro 8	-	expression tag
Arg 9	-	expression tag
Gly 10	-	expression tag
Ser 11	-	expression tag
His 12	-	expression tag
Met 13	-	expression tag
Ala 14	-	expression tag
Ser 15	-	expression tag
Ala 283	Tyr 291	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	147136.9
Branched	Number of molecules	2
	Total formula weight	1201.0
Non-Polymers*	Number of molecules	4
	Total formula weight	1456.4
All*	Total formula weight	149794.4

*Water molecules are not included.