5D6T

Crystal Structure of Aspergillus clavatus Sph3 in complex with GalNAc

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	SPHERULIN-4	polymer	272	30060.4	1	UniProt (A1CJQ5) Pfam (PF12138) In PDB	Aspergillus clavatus (strain ATCC 1007 / CBS 513.65 / DSM 816 / NCTC 3887 / NRRL 1)
2	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4	A	2-acetamido-2-deoxy-beta-D-galactopyranose	non-polymer		221.2	1	Chemie (NGA)
5		water	water		18.0	203	Chemie (HOH)

Sequence modifications

A: 54 - 304 (UniProt: A1CJQ5)

PDB	External Database	Details
Met 33	-	initiating methionine
Gly 34	-	expression tag
Ser 35	-	expression tag
Ser 36	-	expression tag
His 37	-	expression tag
His 38	-	expression tag
His 39	-	expression tag
His 40	-	expression tag
His 41	-	expression tag
His 42	-	expression tag
Ser 43	-	expression tag
Ser 44	-	expression tag
Gly 45	-	expression tag
Leu 46	-	expression tag
Val 47	-	expression tag
Pro 48	-	expression tag
Arg 49	-	expression tag
Gly 50	-	expression tag
Ser 51	-	expression tag
His 52	-	expression tag
Met 53	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	30060.4
Non-Polymers*	Number of molecules	3
	Total formula weight	352.7
All*	Total formula weight	30413.1

*Water molecules are not included.