7DF5
Human 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 (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) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
3 | C, D, E, F (A) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
4 | G (A) | (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 | 1 | Chemie (H5O) | |||
5 | H (A) | water | water | 18.0 | 191 | Chemie (HOH) |
Sequence modifications
A: 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 |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 18565.2 | |
Non-Polymers* | Number of molecules | 6 |
Total formula weight | 802.7 | |
All* | Total formula weight | 19367.9 |