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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 1331 families. | |||||
1 | 1FNZ | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
2 | 5KXE | Kd = 5.45 uM | 6Y2 | C22 H31 N3 O13 | CC(=O)N[C@.... |
3 | 5KXB | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
4 | 5KXC | - | 6Y2 | C22 H31 N3 O13 | CC(=O)N[C@.... |
5 | 5KXD | - | 6Y2 | C22 H31 N3 O13 | CC(=O)N[C@.... |
6 | 4WV8 | - | GLC GAL | n/a | n/a |
7 | 4U2A | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
8 | 4U36 | - | 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 | SER A2G | 1 | 1 |
2 | 3YW | 0.683333 | 0.877551 |
3 | TNR | 0.650794 | 0.979592 |
4 | SER MAN | 0.6 | 0.836735 |
5 | 2F8 | 0.559322 | 0.823529 |
6 | MAG | 0.559322 | 0.823529 |
7 | GN1 | 0.548387 | 0.728814 |
8 | NG1 | 0.548387 | 0.728814 |
9 | GAL NAG | 0.536232 | 0.843137 |
10 | GYU | 0.507246 | 0.839286 |
11 | A2G THR GAL NAG | 0.488636 | 0.886792 |
12 | NDG NAG | 0.486111 | 0.849057 |
13 | A2G SER GAL | 0.474359 | 0.960784 |
14 | MBG A2G | 0.472222 | 0.811321 |
15 | MAN NAG | 0.471429 | 0.843137 |
16 | GAL NGA | 0.465753 | 0.826923 |
17 | ACE SER SER VAL GLY A2G | 0.460674 | 0.854545 |
18 | A2G NAG | 0.458333 | 0.865385 |
19 | MBG NAG | 0.458333 | 0.811321 |
20 | GDL NAG | 0.458333 | 0.865385 |
21 | AMU NAG | 0.45679 | 0.867925 |
22 | A2G GAL NAG | 0.45679 | 0.865385 |
23 | NGA THR GAL NAG | 0.450549 | 0.886792 |
24 | HD4 | 0.448718 | 0.75 |
25 | 6ZC | 0.447368 | 0.692308 |
26 | LEC | 0.447368 | 0.692308 |
27 | 57S | 0.443038 | 0.75 |
28 | GYT | 0.435897 | 0.770492 |
29 | NAG NAG NAG NAG NAG | 0.434211 | 0.849057 |
30 | NDG NAG NAG NAG NAG | 0.434211 | 0.849057 |
31 | NAG NAG NAG NAG NAG NAG | 0.434211 | 0.849057 |
32 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.434211 | 0.849057 |
33 | NAG AH0 | 0.430233 | 0.807018 |
34 | A2G | 0.42623 | 0.816327 |
35 | NAG | 0.42623 | 0.816327 |
36 | HSQ | 0.42623 | 0.816327 |
37 | BM3 | 0.42623 | 0.816327 |
38 | NDG | 0.42623 | 0.816327 |
39 | NGA | 0.42623 | 0.816327 |
40 | GAL NGA A2G | 0.423077 | 0.865385 |
41 | Z3Q NGA | 0.421687 | 0.770492 |
42 | AH0 NAG | 0.421687 | 0.775862 |
43 | NAG NGO | 0.419753 | 0.821429 |
44 | BGC GAL NGA | 0.417722 | 0.843137 |
45 | 3QL | 0.417722 | 0.803571 |
46 | AMV NAG AMU NAG | 0.41573 | 0.851852 |
47 | BMX BMX BMX BM3 | 0.414634 | 0.766667 |
48 | NM9 NAG | 0.414634 | 0.851852 |
49 | MAN MAN NAG | 0.414634 | 0.846154 |
50 | ACA SER SER VAL GLY A2G | 0.411765 | 0.844828 |
51 | MMA MAN NAG | 0.407407 | 0.811321 |
52 | GAL FUC A2G | 0.402439 | 0.826923 |
53 | BMA MAN NAG | 0.402439 | 0.843137 |
This union binding pocket(no: 1) in the query (biounit: 4u36.bio1) has 13 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |