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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 | 1S1A | - | MMA MAN | n/a | n/a |
2 | 2ARB | Ka = 26000 M^-1 | MAN NAG | n/a | n/a |
3 | 1N3Q | - | FRU GLC | n/a | n/a |
4 | 2AR6 | Ka = 63000 M^-1 | MAN MAN MAN NAG NAG | n/a | n/a |
5 | 1N3O | - | GYP | C7 H14 O6 | CO[C@@H]1[.... |
6 | 1N3P | - | GLC FRU | n/a | n/a |
7 | 2ARX | - | MAN MAN | n/a | n/a |
8 | 2ARE | Ka = 1900 M^-1 | MAN | C6 H12 O6 | C([C@@H]1[.... |
9 | 3ZYR | Kd = 4.6 uM | NAG ASN NAG BMA MAN MAN NAG NAG | n/a | n/a |
10 | 3ZVX | - | MAN MAN MAN | n/a | n/a |
11 | 5U38 | - | MMA MAN | n/a | n/a |
12 | 5EYX | - | MMA MAN | n/a | n/a |
13 | 5EYY | - | MMA MAN | 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 | MMA MAN | 1 | 1 |
2 | BGC GLC GLC GLC GLC GLC | 0.666667 | 0.942857 |
3 | MMA MAN MAN | 0.666667 | 1 |
4 | BGC GLC GLC GLC GLC | 0.666667 | 0.942857 |
5 | AMG | 0.651163 | 0.914286 |
6 | GYP | 0.651163 | 0.914286 |
7 | MBG | 0.651163 | 0.914286 |
8 | MMA | 0.651163 | 0.914286 |
9 | BMA MAN MAN MAN | 0.584615 | 0.972222 |
10 | AHR AHR | 0.56 | 0.810811 |
11 | AHR AHR AHR AHR | 0.557692 | 0.810811 |
12 | AHR AHR AHR AHR AHR | 0.557692 | 0.810811 |
13 | AHR AHR AHR AHR AHR AHR | 0.557692 | 0.810811 |
14 | BGC GLC GLC | 0.557377 | 0.942857 |
15 | H1M MAN MAN | 0.553846 | 0.921053 |
16 | Z4R MAN MAN | 0.542857 | 0.897436 |
17 | Z9N GLC | 0.534483 | 0.8 |
18 | GLC GLC GLC | 0.53125 | 0.891892 |
19 | FRU GLC GLA | 0.53125 | 0.846154 |
20 | BMA MAN MAN | 0.52459 | 0.942857 |
21 | BGC GLC GLC GLC | 0.523077 | 0.942857 |
22 | GLC GLC GLC GLC GLC | 0.523077 | 0.942857 |
23 | GLC FRU GLA GLA GLA | 0.523077 | 0.846154 |
24 | GLC FRU GLA GLA | 0.523077 | 0.846154 |
25 | NGB | 0.522388 | 0.6 |
26 | BGC BGC BGC BGC | 0.507463 | 0.942857 |
27 | YZ0 MAN MAN NAG MAN | 0.493827 | 0.744681 |
28 | GLC FRU GLA | 0.485714 | 0.846154 |
29 | MAN MAN BMA | 0.484375 | 0.891892 |
30 | NOJ BGC | 0.483333 | 0.666667 |
31 | DEG | 0.481481 | 0.775 |
32 | IFM MAN | 0.47541 | 0.680851 |
33 | MGL GAL | 0.473684 | 1 |
34 | AXR BXY BXY BXX | 0.472973 | 0.8 |
35 | NAG BMA MAN MAN MAN MAN MAN | 0.466667 | 0.921053 |
36 | U1Y BGC | 0.466667 | 0.921053 |
37 | J5B | 0.464286 | 0.794872 |
38 | EBQ | 0.464286 | 0.794872 |
39 | RGG | 0.462963 | 0.833333 |
40 | BHG | 0.45614 | 0.72093 |
41 | HEX GLC | 0.45614 | 0.72093 |
42 | JZR | 0.45614 | 0.72093 |
43 | B7G | 0.448276 | 0.744186 |
44 | KGM | 0.448276 | 0.744186 |
45 | MBG GAL | 0.448276 | 1 |
46 | MBG GLA | 0.446429 | 1 |
47 | GYP GZL NAG | 0.444444 | 0.7 |
48 | BNG | 0.440678 | 0.744186 |
49 | HSJ | 0.440678 | 0.744186 |
50 | BOG | 0.440678 | 0.744186 |
51 | DGD | 0.439024 | 0.73913 |
52 | MAN MAN MAN MAN MAN MAN MAN | 0.428571 | 0.942857 |
53 | BMA BMA BMA BMA GLA | 0.428571 | 0.942857 |
54 | BMA MAN MAN MAN MAN | 0.426667 | 0.891892 |
55 | AXR BXY BXY BXY BXX BXX | 0.425 | 0.8 |
56 | HNV | 0.41791 | 0.825 |
57 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.416667 | 0.693878 |
58 | GL1 | 0.415094 | 0.666667 |
59 | G1P | 0.415094 | 0.666667 |
60 | XGP | 0.415094 | 0.666667 |
61 | M1P | 0.415094 | 0.666667 |
62 | FK9 | 0.412698 | 0.704545 |
63 | MAN MAN MAN | 0.410959 | 0.916667 |
64 | SER MAN | 0.409836 | 0.688889 |
65 | J7Z | 0.406593 | 0.755556 |
66 | GLC U8V | 0.403226 | 0.918919 |
67 | DR4 | 0.402985 | 0.785714 |
68 | XNS | 0.402985 | 0.785714 |
69 | MAN BMA MAN MAN MAN MAN MAN | 0.402439 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ZEL MAN | 0.9952 |
2 | MAN MAN | 0.9802 |
3 | MSX MAN | 0.9611 |
4 | DMJ MAN | 0.9508 |
5 | BMA MAN | 0.9487 |
6 | MAN GLC | 0.9474 |
7 | MMA LDY | 0.9408 |
8 | MAN MNM | 0.9387 |
9 | TW7 GLC | 0.9341 |
10 | MAN G63 | 0.9335 |
11 | Z5L MAN | 0.9318 |
12 | GLC GLC | 0.9313 |
13 | MAN MVL | 0.9185 |
14 | 7D1 MAN | 0.9175 |
15 | MAN IFM | 0.9169 |
16 | BDF GLC | 0.9121 |
17 | GLC DMJ | 0.9115 |
18 | RZM | 0.9105 |
19 | FRU GLC | 0.9078 |
20 | DGO MAN | 0.9074 |
21 | GLC FRU | 0.9053 |
22 | BMA GLA | 0.9051 |
23 | GLF B8D | 0.9034 |
24 | BGC GLC | 0.8988 |
25 | GMH GMH | 0.8971 |
26 | GLC BGC | 0.8942 |
27 | GLC GLA | 0.8908 |
28 | GPM GLC | 0.8865 |
29 | XMM | 0.8864 |
30 | MA1 GLC | 0.8854 |
31 | GLC IFM | 0.8854 |
32 | RR7 GLC | 0.8831 |
33 | DTK | 0.8806 |
34 | DGO Z61 | 0.8788 |
35 | NOJ GLC | 0.8731 |
36 | BGC GLA | 0.8698 |
37 | GLA GLC | 0.8654 |
38 | GAL FUC | 0.8593 |
39 | FRU FRU | 0.8590 |
This union binding pocket(no: 1) in the query (biounit: 5eyy.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2GUC | MAN | 6.55738 |
2 | 2GUD | MAN | 6.55738 |