5H9P

Crystal Structure of Human Galectin-3 CRD in Complex with TD139

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Galectin-3	polymer	158	17872.4	1	UniProt (P17931) Pfam (PF00337) In PDB	Homo sapiens (Human)	Gal-3,35 kDa lectin,Carbohydrate-binding protein 35,CBP 35,Galactose-specific lectin 3,Galactoside-binding protein,GALBP,IgE-binding protein,L-31,Laminin-binding protein,Lectin L-29,Mac-2 antigen
2	A	3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside	non-polymer		648.6	1	Chemie (TD2)
3		water	water		18.0	84	Chemie (HOH)

Sequence modifications

A: 113 - 250 (UniProt: P17931)

PDB	External Database	Details
Gly 93	-	expression tag
Ser 94	-	expression tag
Ser 95	-	expression tag
His 96	-	expression tag
His 97	-	expression tag
His 98	-	expression tag
His 99	-	expression tag
His 100	-	expression tag
His 101	-	expression tag
Ser 102	-	expression tag
Ser 103	-	expression tag
Gly 104	-	expression tag
Leu 105	-	expression tag
Val 106	-	expression tag
Pro 107	-	expression tag
Arg 108	-	expression tag
Gly 109	-	expression tag
Ser 110	-	expression tag
His 111	-	expression tag
Met 112	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	17872.4
Non-Polymers*	Number of molecules	1
	Total formula weight	648.6
All*	Total formula weight	18521.1

*Water molecules are not included.