7CXA

Structure of human Galectin-3 CRD in complex with TD-139 belonging to P31 space group.

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)	Galectin-3	polymer	165	18565.2	2	UniProt (P17931) Pfam (PF00337)	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	C, E (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
3	D, F (A, B)	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	2	Chemie (TD2)
4	G, H (A, B)	water	water		18.0	104	Chemie (HOH)

Sequence modifications

A, B: 108 - 250 (UniProt: P17931)

PDB	External Database	Details
Met 86	-	expression tag
Gly 87	-	expression tag
Ser 88	-	expression tag
Ser 89	-	expression tag
His 90	-	expression tag
His 91	-	expression tag
His 92	-	expression tag
His 93	-	expression tag
His 94	-	expression tag
His 95	-	expression tag
Ser 96	-	expression tag
Ser 97	-	expression tag
Gly 98	-	expression tag
Glu 99	-	expression tag
Thr 100	-	expression tag
Val 101	-	expression tag
Arg 102	-	expression tag
Phe 103	-	expression tag
Gln 104	-	expression tag
Gly 105	-	expression tag
His 106	-	expression tag
Met 107	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	37130.3
Non-Polymers*	Number of molecules	4
	Total formula weight	1368.2
All*	Total formula weight	38498.5

*Water molecules are not included.