7DF6

Mouse Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Galectin-3	polymer	165	18639.2	2	UniProt (P16110) Pfam (PF00337) In PDB	Mus musculus (Mouse)	Gal-3,35 kDa lectin,Carbohydrate-binding protein 35,CBP 35,Galactose-specific lectin 3,IgE-binding protein,L-34 galactoside-binding lectin,Laminin-binding protein,Lectin L-29,Mac-2 antigen
2	A, B	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol	non-polymer		636.6	2	Chemie (H5O)
3		water	water		18.0	179	Chemie (HOH)

Sequence modifications

A, B: 122 - 264 (UniProt: P16110)

PDB	External Database	Details
Met 100	-	initiating methionine
Gly 101	-	expression tag
Ser 102	-	expression tag
Ser 103	-	expression tag
His 104	-	expression tag
His 105	-	expression tag
His 106	-	expression tag
His 107	-	expression tag
His 108	-	expression tag
His 109	-	expression tag
Ser 110	-	expression tag
Ser 111	-	expression tag
Gly 112	-	expression tag
Glu 113	-	expression tag
Thr 114	-	expression tag
Val 115	-	expression tag
Arg 116	-	expression tag
Phe 117	-	expression tag
Gln 118	-	expression tag
Gly 119	-	expression tag
His 120	-	expression tag
Met 121	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	37278.5
Non-Polymers*	Number of molecules	2
	Total formula weight	1273.2
All*	Total formula weight	38551.7

*Water molecules are not included.