Receptor
PDB id Resolution Class Description Source Keywords
4ZRV 2.1 Å NON-ENZYME: BINDING STRUCTURE OF COW MINCLE CRD COMPLEXED WITH TREHALOSE MONO BU 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 B:304;
C:304;
C:305;
B:303;
B:302;
A:304;
A:303;
A:302;
C:303;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
ACT C:301;
A:305;
C:306;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
GLC U8V F:1;
D:1;
E:1;
 Valid;
Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.179;
Atoms found LESS than expected: % Diff = 0.071;
Atoms found LESS than expected: % Diff = 0.179;
 submit data
384.334 n/a O=C(O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KZV 1.4 Å NON-ENZYME: BINDING STRUCTURE OF THE CARBOHYDRATE-RECOGNITION DOMAIN OF THE C-TY MINCLE BOUND TO TREHALOSE BOS TAURUS C-TYPE LECTIN CARBOHYDRATE-RECOGNITION DOMAIN CARBOHYDRATEPROTEIN
Ref.: MECHANISM FOR RECOGNITION OF AN UNUSUAL MYCOBACTERI GLYCOLIPID BY THE MACROPHAGE RECEPTOR MINCLE. J.BIOL.CHEM. V. 288 28457 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 4KZV - GLC GLC n/a n/a
2 4ZRV - GLC U8V 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 U8V; Similar ligands found: 54
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC U8V 1 1
2 GLC G6P 0.6 0.733333
3 L6T 0.5 0.795455
4 BGC GLA GAL 0.5 0.916667
5 U2D GLC 0.464789 0.795455
6 BQZ 0.462963 0.833333
7 A2G GAL 0.461538 0.76087
8 NAG GAL 0.461538 0.76087
9 MGC GAL 0.461538 0.729167
10 TVD GAL 0.461538 0.7
11 GLC GLC 6X7 6X7 0.450704 0.790698
12 MBG GAL 0.45 0.918919
13 MBG GLA 0.448276 0.918919
14 LOG GAL 0.442857 0.614035
15 NAG BMA 0.441176 0.68
16 GLC GLC 6X6 0.435897 0.809524
17 NAG BMA MAN MAN MAN MAN 0.435294 0.76087
18 GCU BGC 0.430769 0.891892
19 MAN IPD MAN 0.428571 0.733333
20 MGL GAL 0.42623 0.918919
21 NAG GAL GAL 0.424658 0.76087
22 AMG 0.423077 0.837838
23 MBG 0.423077 0.837838
24 GYP 0.423077 0.837838
25 MMA 0.423077 0.837838
26 IPD MAN 0.421875 0.688889
27 EQV 0.421053 0.795455
28 MMA MAN MAN 0.42029 0.918919
29 GL1 0.418182 0.652174
30 XGP 0.418182 0.652174
31 M1P 0.418182 0.652174
32 G1P 0.418182 0.652174
33 NOK GAL 0.416667 0.607143
34 GAL GLA 0.416667 0.916667
35 NAG FUC GAL 0.413333 0.744681
36 FUC GAL 0.412698 0.916667
37 MAN MAN 0.409836 0.864865
38 BGC XGP 0.409091 0.733333
39 GLC BGC BGC BGC 0.40625 0.916667
40 BGC BGC BGC BGC BGC BGC 0.40625 0.916667
41 BGC BGC BGC 0.40625 0.916667
42 5QP 0.40625 0.815789
43 BGC BGC BGC BGC BGC BGC BGC 0.40625 0.916667
44 BGC BGC BGC BGC BGC 0.40625 0.916667
45 BGC BGC BGC BGC 0.405405 0.916667
46 SCG 0.405063 0.795455
47 A2G GAL NAG 0.405063 0.714286
48 RZM 0.403226 0.645833
49 MMA MAN 0.403226 0.918919
50 GPM GLC 0.402985 0.717391
51 A2G SER GAL 0.402597 0.673077
52 2M8 0.4 0.888889
53 BGC GLC GLC 0.4 0.916667
54 GAL SO4 GAL 0.4 0.622642
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC U8V; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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