Receptor
PDB id Resolution Class Description Source Keywords
3O0W 1.95 Å NON-ENZYME: BINDING STRUCTURAL BASIS OF CARBOHYDRATE RECOGNITION BY CALRETICULIN MUS MUSCULUS JELLY ROLL FOLD CHAPERONE CARBOHYDRATE BINDING; CALCIUM BI
Ref.: STRUCTURAL BASIS OF CARBOHYDRATE RECOGNITION BY CALRETICULIN. J.BIOL.CHEM. V. 285 38612 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:377;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
MAN MAN MAN GLC B:1;
Valid;
none;
Kd = 0.7 uM
666.579 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3O0W 1.95 Å NON-ENZYME: BINDING STRUCTURAL BASIS OF CARBOHYDRATE RECOGNITION BY CALRETICULIN MUS MUSCULUS JELLY ROLL FOLD CHAPERONE CARBOHYDRATE BINDING; CALCIUM BI
Ref.: STRUCTURAL BASIS OF CARBOHYDRATE RECOGNITION BY CALRETICULIN. J.BIOL.CHEM. V. 285 38612 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 3O0X Kd = 0.7 uM MAN MAN MAN GLC n/a n/a
2 3O0W Kd = 0.7 uM MAN MAN MAN GLC n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 3O0X Kd = 0.7 uM MAN MAN MAN GLC n/a n/a
2 3O0W Kd = 0.7 uM MAN MAN MAN GLC n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5HCF - BGC C6 H12 O6 C([C@@H]1[....
2 3O0X Kd = 0.7 uM MAN MAN MAN GLC n/a n/a
3 3O0W Kd = 0.7 uM MAN MAN MAN GLC n/a n/a
4 5HCA - BGC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAN MAN MAN GLC; Similar ligands found: 79
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN MAN GLC 1 1
2 BGC BGC BGC BGC BGC BGC 0.622951 1
3 GLC BGC BGC BGC 0.622951 1
4 BGC BGC BGC BGC BGC BGC BGC 0.622951 1
5 BGC BGC BGC 0.622951 1
6 BGC BGC BGC BGC BGC 0.622951 1
7 BGC GAL GLA 0.609375 1
8 OPM MAN MAN 0.575342 0.804878
9 MBG GAL 0.57377 0.942857
10 BGC BGC BGC BGC BGC BGC BGC BGC 0.573529 1
11 GAL GLA 0.540984 1
12 NAG GAL GAL 0.527027 0.733333
13 MBG GLA 0.52459 0.942857
14 BQZ 0.517241 0.909091
15 MAN NAG GAL 0.513158 0.733333
16 BGC BGC BGC BGC 0.506667 1
17 NAG BMA MAN MAN MAN MAN MAN 0.506173 0.868421
18 AHR FUB 0.5 0.857143
19 BGC GAL NAG GAL FUC 0.494382 0.717391
20 MAN MAN MAN MAN MAN MAN MAN 0.487805 1
21 MAN BMA MAN MAN MAN MAN MAN 0.476744 0.942857
22 RAM MAN GLA ABE RAM MAN GLA 0.474227 0.868421
23 MAN MAN M6P 0.473684 0.785714
24 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.473118 0.733333
25 BGC GAL NAG GAL FUC FUC 0.473118 0.702128
26 GLC GAL BGC FUC 0.472973 0.970588
27 BGC GAL FUC 0.472973 0.970588
28 MAN MAN MAN MAN MAN MAN MAN MAN 0.47191 0.846154
29 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.468085 0.733333
30 BGC GAL NAG GAL 0.463415 0.733333
31 NAG GAL NAG GAL 0.457831 0.6875
32 NAG GAL NAG GAL NAG GAL 0.457831 0.673469
33 GAL NAG GAL NAG GAL 0.457831 0.6875
34 NAG NAG BMA MAN NAG 0.455556 0.673469
35 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.455556 0.825
36 GAL FUC GAL 0.452055 0.970588
37 MMA MAN NAG 0.45 0.702128
38 XYS GAL FUC 0.448718 0.942857
39 NAG BMA MAN MAN NAG GAL NAG GAL 0.443299 0.673469
40 BGC GAL GLA NGA GAL 0.44186 0.733333
41 GLA NAG GAL FUC 0.44186 0.717391
42 GLC GLC GLC GLC BGC GLC GLC 0.441176 1
43 MAN BMA BMA BMA BMA BMA BMA 0.441176 1
44 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.441176 1
45 MAN NAG 0.438356 0.733333
46 BMA MAN MAN 0.438356 1
47 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.436893 0.6875
48 NDG BMA MAN MAN NAG MAN MAN 0.431373 0.6875
49 BGC GLA GAL 0.430769 1
50 BGC GAL FUC GLA 0.426829 0.970588
51 NAG GAL FUC 0.426829 0.717391
52 MMA MAN MAN 0.426667 0.942857
53 GAL SO4 GAL 0.426667 0.66
54 GLC GAL NAG GAL FUC GLA 0.42268 0.717391
55 BGC GAL NAG 0.421687 0.733333
56 NDG BMA MAN MAN NAG GAL NAG 0.421569 0.673469
57 FUC GAL 0.42029 0.941176
58 NAG NAG BMA MAN 0.417582 0.634615
59 NAG NAG BMA MAN MAN NAG GAL NAG 0.417476 0.673469
60 GCU BGC 0.416667 0.914286
61 NAG GAL FUC A2G 0.414634 0.717391
62 BGC GAL GLA NGA 0.413793 0.733333
63 RAM MAN GLA ABE RAM MAN GLA ABE 0.412371 0.868421
64 MGL GAL 0.411765 0.942857
65 RZM 0.411765 0.688889
66 BGC FUC GAL NAG GAL 0.410526 0.717391
67 NDG GAL FUC FUC 0.406977 0.673469
68 GAL NAG GAL FUC FUC 0.406593 0.702128
69 RR7 GLC 0.405797 0.942857
70 G2F SHG BGC BGC 0.405405 0.891892
71 A2G GAL 0.405405 0.733333
72 MAN BMA BMA 0.405405 0.942857
73 NAG GAL 0.405405 0.733333
74 NAG GAL NAG 0.404762 0.6875
75 MAN MAN MAN 0.402439 0.970588
76 NAG NAG BMA MAN MAN MAN MAN 0.401869 0.634615
77 NDG FUC GAL FUC 0.4 0.702128
78 NAG GAL FUC FUC 0.4 0.702128
79 KDO MAN MAN MAN MAN MAN 0.4 0.868421
Similar Ligands (3D)
Ligand no: 1; Ligand: MAN MAN MAN GLC; 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 : 3O0W; Ligand: MAN MAN MAN GLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3o0w.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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