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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 426 families. | |||||
1 | 1V00 | - | BGC GAL | n/a | n/a |
2 | 3N3H | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 3N36 | - | GLA | C6 H12 O6 | C([C@@H]1[.... |
4 | 1AX0 | Ka = 1340 M^-1 | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
5 | 1UZY | - | BGC GAL | n/a | n/a |
6 | 1LTE | - | BGC GAL | n/a | n/a |
7 | 1AX1 | Ka = 1940 M^-1 | BGC GAL | n/a | n/a |
8 | 1AX2 | Ka = 9730 M^-1 | NDG GAL | n/a | n/a |
9 | 1GZC | Kd = 0.32 mM | BGC GAL | n/a | n/a |
10 | 3N35 | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
11 | 1AXZ | Ka = 1570 M^-1 | GAL | C6 H12 O6 | C([C@@H]1[.... |
12 | 1GZ9 | Kd = 0.31 mM | BGC GAL FUC | n/a | n/a |
13 | 2DTW | - | 2GS | C7 H14 O6 | CO[C@@H]1[.... |
14 | 1WBL | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
15 | 2ZMK | - | EGA GLA | n/a | n/a |
16 | 2D3S | - | SER A2G | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 5T55 | Kd = 0.68 nM | BGC GAL GLA NGA | n/a | n/a |
2 | 5T54 | Kd = 0.87 nM | GLA FUC A2G | n/a | n/a |
3 | 5T5J | Kd = 0.73 nM | ACA SER SER VAL GLY A2G | n/a | n/a |
4 | 5T52 | Kd = 0.54 nM | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
5 | 5T5L | Kd = 0.73 nM | ACE SER SER VAL GLY A2G | n/a | n/a |
6 | 5T5P | Kd = 0.71 nM | ACE SER THR VAL GLY A2G | n/a | n/a |
7 | 1FNZ | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
8 | 1S1A | - | MMA MAN | n/a | n/a |
9 | 2ARB | Ka = 26000 M^-1 | MAN NAG | n/a | n/a |
10 | 1N3Q | - | FRU GLC | n/a | n/a |
11 | 2AR6 | Ka = 63000 M^-1 | MAN MAN MAN NAG NAG | n/a | n/a |
12 | 1N3O | - | GYP | C7 H14 O6 | CO[C@@H]1[.... |
13 | 1N3P | - | GLC FRU | n/a | n/a |
14 | 2ARX | - | MAN MAN | n/a | n/a |
15 | 2ARE | Ka = 1900 M^-1 | MAN | C6 H12 O6 | C([C@@H]1[.... |
16 | 1LED | - | MAG GAL FUC FUC | n/a | n/a |
17 | 1GSL | - | MAG FUC GAL FUC | n/a | n/a |
18 | 1V00 | - | BGC GAL | n/a | n/a |
19 | 3N3H | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
20 | 3N36 | - | GLA | C6 H12 O6 | C([C@@H]1[.... |
21 | 1AX0 | Ka = 1340 M^-1 | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
22 | 1UZY | - | BGC GAL | n/a | n/a |
23 | 1LTE | - | BGC GAL | n/a | n/a |
24 | 1AX1 | Ka = 1940 M^-1 | BGC GAL | n/a | n/a |
25 | 1AX2 | Ka = 9730 M^-1 | NDG GAL | n/a | n/a |
26 | 1GZC | Kd = 0.32 mM | BGC GAL | n/a | n/a |
27 | 3N35 | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
28 | 1AXZ | Ka = 1570 M^-1 | GAL | C6 H12 O6 | C([C@@H]1[.... |
29 | 1GZ9 | Kd = 0.31 mM | BGC GAL FUC | n/a | n/a |
30 | 3ZYR | Kd = 4.6 uM | NAG ASN NAG BMA MAN MAN NAG NAG | n/a | n/a |
31 | 3ZVX | - | MAN MAN MAN | n/a | n/a |
32 | 5U38 | - | MMA MAN | n/a | n/a |
33 | 5KXE | Kd = 5.45 uM | 6Y2 | C22 H31 N3 O13 | CC(=O)N[C@.... |
34 | 5KXB | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
35 | 5KXC | - | 6Y2 | C22 H31 N3 O13 | CC(=O)N[C@.... |
36 | 5KXD | - | 6Y2 | C22 H31 N3 O13 | CC(=O)N[C@.... |
37 | 4WV8 | - | GLC GAL | n/a | n/a |
38 | 4U2A | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
39 | 4U36 | - | SER A2G | n/a | n/a |
40 | 1JXN | - | MFU | C7 H14 O5 | C[C@H]1[C@.... |
41 | 3WCS | - | MAN NAG GAL | n/a | n/a |
42 | 3WOG | - | MAN NAG | n/a | n/a |
43 | 5EYX | - | MMA MAN | n/a | n/a |
44 | 5EYY | - | MMA MAN | n/a | n/a |
45 | 2BQP | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
46 | 5T7P | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
47 | 2DVA | - | MGC GAL | n/a | n/a |
48 | 6VC4 | Kd = 360 uM | QWG | C22 H37 N3 O14 S2 | CO[C@@H]1[.... |
49 | 6VGF | Kd = 180 uM | WA3 | C42 H68 N6 O27 S4 | c1c(nnn1C[.... |
50 | 2DV9 | - | GAL GAL | n/a | n/a |
51 | 1V6K | - | GLC GAL | n/a | n/a |
52 | 1V6L | - | BGC GAL | n/a | n/a |
53 | 2DVD | - | GAL GAL | n/a | n/a |
54 | 6VC3 | Kd = 482 uM | QWJ | C15 H24 O9 S2 | C#CCSC[C@@.... |
55 | 2TEP | - | NGA GAL | n/a | n/a |
56 | 6V95 | Kd = 495 uM | QSG | C32 H48 N10 O20 | c1c(nnn1[C.... |
57 | 6VAV | Kd = 690 uM | QTY | C32 H48 N10 O16 | c1c(nnn1[C.... |
58 | 2DVB | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
59 | 1V6I | - | GLC GAL | n/a | n/a |
60 | 6VAW | Kd = 1563 uM | S3W | C20 H33 N5 O12 | CO[C@@H]1[.... |
61 | 2PEL | Ki = 1.37 mM | BGC GAL | n/a | n/a |
62 | 1G9F | - | GAL NAG GAL NAG GAL | n/a | n/a |
63 | 2DTW | - | 2GS | C7 H14 O6 | CO[C@@H]1[.... |
64 | 1WBL | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
65 | 2ZMK | - | EGA GLA | n/a | n/a |
66 | 2D3S | - | SER A2G | n/a | n/a |
67 | 2FMD | - | MAN MAN | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NDG GAL | 1 | 1 |
2 | NAG GAL | 0.507463 | 0.741379 |
3 | GLC BGC FUC GAL | 0.464789 | 0.607143 |
4 | BGC FUC GAL | 0.464789 | 0.607143 |
5 | BGC GAL FUC GLA | 0.461538 | 0.607143 |
6 | BGC GAL FUC | 0.452055 | 0.607143 |
7 | GLC GAL BGC FUC | 0.452055 | 0.607143 |
8 | NAG GAL GAL | 0.447368 | 0.741379 |
9 | TVD GAL | 0.442857 | 0.693548 |
10 | BGC GAL NGA GAL | 0.4375 | 0.741379 |
11 | NGT GAL | 0.432432 | 0.606061 |
12 | NAG GAL BGC GAL | 0.432099 | 0.741379 |
13 | GAL FUC GAL | 0.430556 | 0.607143 |
14 | GAL NAG GAL | 0.43038 | 0.741379 |
15 | BGC GAL NAG GAL | 0.426829 | 0.741379 |
16 | GLC BGC G6D ACI | 0.425287 | 0.655738 |
17 | NAG BMA | 0.424658 | 0.677419 |
18 | BGC GLC AGL GLC GLC GLC | 0.423529 | 0.728814 |
19 | A2G GAL | 0.422535 | 0.741379 |
20 | MAN NAG GAL | 0.417722 | 0.741379 |
21 | ABL | 0.414286 | 0.688525 |
22 | NAG G6S | 0.4125 | 0.638889 |
23 | BGC GAL GLA NGA GAL | 0.406977 | 0.741379 |
24 | GLC GLC GLC G6D ACI GLC GLC | 0.406593 | 0.655738 |
25 | GLC GLC G6D ACI | 0.406593 | 0.634921 |
26 | BGC GAL NGA | 0.405063 | 0.741379 |
27 | NAG GAL NAG GAL | 0.404762 | 0.704918 |
28 | GAL NAG GAL NAG GAL | 0.404762 | 0.704918 |
29 | NAG GAL NAG GAL NAG GAL | 0.404762 | 0.693548 |
30 | NAG GAL FUC GLA | 0.402299 | 0.728814 |
31 | NAG FUC GAL | 0.4 | 0.728814 |
32 | NOY BGC | 0.4 | 0.688525 |
33 | NOJ GLC | 0.4 | 0.603175 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NDG GCD | 0.9497 |
2 | GLC GAL | 0.9259 |
3 | BGC GAL | 0.9207 |
4 | GAL NOK | 0.9131 |
5 | NOK GAL | 0.9131 |
6 | GAL NGT | 0.9117 |
7 | MGC GAL | 0.9038 |
8 | LOG GAL | 0.8947 |
9 | GAL GAL | 0.8924 |
10 | NAG GC4 | 0.8909 |
11 | BGC BGC | 0.8893 |
12 | NAG NAG | 0.8890 |
13 | GLC BGC | 0.8879 |
14 | SN5 SN5 | 0.8878 |
15 | NDG NAG | 0.8863 |
16 | GAL GC2 | 0.8862 |
17 | FRU GAL | 0.8851 |
18 | PA1 GCS | 0.8850 |
19 | NGA GCD | 0.8812 |
20 | NGA GAL | 0.8805 |
21 | BGC Z9D | 0.8793 |
22 | GAL NAG | 0.8780 |
23 | BGC SGA | 0.8726 |
24 | SHG BGC | 0.8705 |
25 | WAN | 0.8660 |
26 | BMA GAL | 0.8658 |
27 | GAL SO4 GAL | 0.8604 |
This union binding pocket(no: 1) in the query (biounit: 1ax2.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |