Receptor
PDB id Resolution Class Description Source Keywords
5KTI 1.8 Å NON-ENZYME: OTHER STRUCTURE OF COW MINCLE COMPLEXED WITH KMJ1 BOS TAURUS GLYCOBIOLOGY CARBOHYDRATE-BINDING PROTEIN C-TYPE LECTIN CSUGAR BINDING PROTEIN
Ref.: BINDING SITES FOR ACYLATED TREHALOSE ANALOGS OF GLY LIGANDS ON AN EXTENDED CARBOHYDRATE RECOGNITION DOM THE MACROPHAGE RECEPTOR MINCLE. J.BIOL.CHEM. V. 291 21222 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:304;
A:303;
A:305;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
40.078 Ca [Ca+2...
PGE A:306;
 Invalid;
 none;
 submit data
150.173 C6 H14 O4 C(COC...
GLC GLC 6X6 B:1;
 Valid;
 none;
 submit data
508.473 n/a O(C(O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KTI 1.8 Å NON-ENZYME: OTHER STRUCTURE OF COW MINCLE COMPLEXED WITH KMJ1 BOS TAURUS GLYCOBIOLOGY CARBOHYDRATE-BINDING PROTEIN C-TYPE LECTIN CSUGAR BINDING PROTEIN
Ref.: BINDING SITES FOR ACYLATED TREHALOSE ANALOGS OF GLY LIGANDS ON AN EXTENDED CARBOHYDRATE RECOGNITION DOM THE MACROPHAGE RECEPTOR MINCLE. J.BIOL.CHEM. V. 291 21222 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5KTH - GLC GLC 6X7 6X7 n/a n/a
2 5KTI - GLC GLC 6X6 n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 4KZV - GLC GLC n/a n/a
2 4ZRV - GLC U8V n/a n/a
3 5KTH - GLC GLC 6X7 6X7 n/a n/a
4 5KTI - GLC GLC 6X6 n/a n/a
5 3WH2 - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 4N33 - GAL NAG n/a n/a
2 3P5I - NAG G6S n/a n/a
3 3P5H - BGC BGC n/a n/a
4 4N37 - MMA C7 H14 O6 CO[C@@H]1[....
5 4N34 - 2F8 C9 H17 N O6 CC(=O)N[C@....
6 3P5E - MAN C6 H12 O6 C([C@@H]1[....
7 6PWR - MAN NAG n/a n/a
8 6PWS Ki = 1.6 mM MMA C7 H14 O6 CO[C@@H]1[....
9 5G6U ic50 = 0.22 uM SGN C6 H13 N O11 S2 C([C@@H]1[....
10 5VYB - BMA MAN MAN MAN MAN MAN MAN n/a n/a
11 1SL5 - GAL NAG FUC GAL n/a n/a
12 2IT5 - MAN MAN MAN n/a n/a
13 6LFJ Kd = 140 uM MAN IPD MAN n/a n/a
14 1K9J - MAN MAN MAN NAG NAG n/a n/a
15 1SL4 - MAN MAN MAN MAN n/a n/a
16 2IT6 - MAN MAN n/a n/a
17 1K9I - MAN MAN MAN NAG NAG n/a n/a
18 6GHV Kd = 52 uM EZ8 C35 H48 Cl N6 O10 c1cc(ccc1C....
19 3VYK Kd = 0.000023 M MMA MAN NAG MAN NAG NAG n/a n/a
20 4KZV - GLC GLC n/a n/a
21 4ZRV - GLC U8V n/a n/a
22 5KTH - GLC GLC 6X7 6X7 n/a n/a
23 5KTI - GLC GLC 6X6 n/a n/a
24 2OX9 - NAG FUC GAL n/a n/a
25 4ZES Ki = 9.4 mM MMA C7 H14 O6 CO[C@@H]1[....
26 3WH2 - FLC C6 H5 O7 C(C(=O)[O-....
27 5JPV - GLC GAL n/a n/a
28 5JQ1 - ZPF C9 H15 N O6 CC(=O)N[C@....
29 1SL6 - NDG FUC GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLC 6X6; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC 6X6 1 1
2 GLC U8V 0.435897 0.809524
3 U2D GLC 0.431818 0.693878
4 GLC G6P 0.410256 0.708333
5 L6T 0.406977 0.693878
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC 6X6; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KTI; Ligand: GLC GLC 6X6; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 5kti.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4WQQ MAN 41.1348
2 4WQQ MAN 41.1348
3 4WQQ MAN 41.1348
4 4WQQ MAN 41.1348
5 1RDL MMA 41.5929
6 1RDL MMA 41.5929
7 3P7G MAN 46.5753
8 3P7G MAN 46.5753
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