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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
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 | MAG FUC GAL FUC | 1 | 1 |
2 | MAG GAL FUC FUC | 0.940298 | 1 |
3 | NDG FUC GAL FUC | 0.756757 | 0.979167 |
4 | NAG GAL FUC FUC | 0.710526 | 0.979167 |
5 | GAL NAG GAL FUC FUC | 0.674699 | 0.979167 |
6 | MAG FUC G4S | 0.670732 | 0.723077 |
7 | NAG NON FUC GAL FUC | 0.670455 | 0.872727 |
8 | NAG GAL FUC A2G | 0.649351 | 0.958333 |
9 | MAG FUC SGA | 0.642857 | 0.723077 |
10 | NAG GAL FUC | 0.641026 | 0.958333 |
11 | BGC GAL NAG GAL FUC FUC | 0.608696 | 0.979167 |
12 | NAG FUC GAL | 0.594937 | 0.958333 |
13 | GLA NAG GAL FUC | 0.588235 | 0.958333 |
14 | GAL NAG FUC GAL | 0.569767 | 0.958333 |
15 | GAL NAG GAL FUC | 0.568182 | 0.92 |
16 | GLC GAL BGC FUC | 0.558442 | 0.708333 |
17 | BGC GAL FUC | 0.558442 | 0.708333 |
18 | BGC GAL NAG GAL FUC | 0.548387 | 0.958333 |
19 | GLA NAG FUC GAL | 0.544444 | 0.938776 |
20 | NAG FUC GAL FUC A2G | 0.537634 | 0.94 |
21 | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | 0.536842 | 0.96 |
22 | MGC GAL | 0.513158 | 0.979167 |
23 | XYS GAL FUC | 0.512195 | 0.693878 |
24 | NAG GAL FUC FUC A2G | 0.505263 | 0.94 |
25 | NAG FUC | 0.5 | 0.9375 |
26 | NDG GAL FUC FUC | 0.5 | 0.901961 |
27 | NAG GAL FUC GLA | 0.494505 | 0.958333 |
28 | MAG FUC GAL SIA | 0.490909 | 0.886792 |
29 | BGC FUC GAL FUC A2G | 0.489362 | 0.979167 |
30 | MAG SGA FUC | 0.483871 | 0.707692 |
31 | MMA MAN NAG | 0.476744 | 0.979167 |
32 | BHE | 0.47619 | 0.625 |
33 | GAL FUC A2G | 0.471264 | 0.958333 |
34 | 4YA | 0.46988 | 0.625 |
35 | BGC GAL FUC A2G | 0.46875 | 0.958333 |
36 | NM9 NAG | 0.465909 | 0.941176 |
37 | GLC BGC FUC GAL | 0.45679 | 0.708333 |
38 | BGC FUC GAL | 0.45679 | 0.708333 |
39 | BGC FUC GAL NAG | 0.447917 | 0.958333 |
40 | AMV NAG AMU NAG | 0.447917 | 0.941176 |
41 | GLC GAL NAG GAL FUC GLA | 0.446602 | 0.958333 |
42 | MBG GLA | 0.444444 | 0.729167 |
43 | NAG T45 FUC | 0.438776 | 0.701493 |
44 | 2F8 | 0.438356 | 0.916667 |
45 | MAG | 0.438356 | 0.916667 |
46 | BGC FUC GAL NAG GAL | 0.435644 | 0.958333 |
47 | MBG A2G | 0.433735 | 0.979167 |
48 | MMA MAN NAG MAN NAG NAG | 0.43299 | 0.96 |
49 | GLC GAL NAG GAL FUC A2G | 0.425926 | 0.94 |
50 | NAG TA5 FUC | 0.425532 | 0.686567 |
51 | BGC GAL FUC GLA | 0.422222 | 0.708333 |
52 | TVD GAL | 0.419753 | 0.901961 |
53 | NAG GAL | 0.419753 | 0.9375 |
54 | MAN MAN NAG | 0.417582 | 0.9 |
55 | BMA MAN MAN MAN | 0.41573 | 0.75 |
56 | HSH A2G FUC | 0.414141 | 0.839286 |
57 | BGC GAL SIA NGA GAL FUC | 0.414062 | 0.886792 |
58 | YZ0 MAN MAN NAG MAN | 0.411765 | 0.979167 |
59 | GAL FUC GAL | 0.409639 | 0.708333 |
60 | A2G GAL | 0.402439 | 0.9375 |
61 | MAN NAG GAL | 0.4 | 0.9375 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NAG FUC GAL FUC | 0.9702 |
This union binding pocket(no: 1) in the query (biounit: 1gsl.bio1) has 16 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |