5NFB

Structure of Galectin-3 CRD in complex with compound 4

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	176	19935.4	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	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide	non-polymer		636.6	1	Chemie (8VT)
3		water	water		18.0	118	Chemie (HOH)

Sequence modifications

A: 106 - 250 (UniProt: P17931)

PDB	External Database	Details
Met 75	-	initiating methionine
Gly 76	-	expression tag
Ser 77	-	expression tag
Ser 78	-	expression tag
His 79	-	expression tag
Asn 80	-	expression tag
His 81	-	expression tag
Asn 82	-	expression tag
His 83	-	expression tag
Asn 84	-	expression tag
His 85	-	expression tag
Asn 86	-	expression tag
His 87	-	expression tag
Asn 88	-	expression tag
His 89	-	expression tag
Asn 90	-	expression tag
Asp 91	-	expression tag
Tyr 92	-	expression tag
Asp 93	-	expression tag
Ile 94	-	expression tag
Pro 95	-	expression tag
Thr 96	-	expression tag
Thr 97	-	expression tag
Glu 98	-	expression tag
Asn 99	-	expression tag
Leu 100	-	expression tag
Tyr 101	-	expression tag
Phe 102	-	expression tag
Gln 103	-	expression tag
Gly 104	-	expression tag
Ser 105	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	19935.4
Non-Polymers*	Number of molecules	1
	Total formula weight	636.6
All*	Total formula weight	20572.1

*Water molecules are not included.