7XFA

Structure of human Galectin-3 CRD in complex with monosaccharide inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Galectin-3	polymer	165	18565.2	1	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	B (A)	(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol	non-polymer		621.3	1	Chemie (D9J)
3	C (A)	water	water		18.0	239	Chemie (HOH)

Sequence modifications

A: 108 - 250 (UniProt: P17931)

PDB	External Database	Details
Met 86	-	initiating methionine
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	1
	Total formula weight	18565.2
Non-Polymers*	Number of molecules	1
	Total formula weight	621.3
All*	Total formula weight	19186.5

*Water molecules are not included.