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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 337 families. | |||||
1 | 4YT4 | - | FE9 | C21 H23 Fe N6 O13 P S | CC1=C2CC(=.... |
2 | 6HUX | - | E4M | C31 H44 N6 O16 P | C[C@H]1[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 225 families. | |||||
1 | 6HUZ | - | GUE | C20 H22 N7 O6 | c1cc(ccc1C.... |
2 | 4YT4 | - | FE9 | C21 H23 Fe N6 O13 P S | CC1=C2CC(=.... |
3 | 6HUX | - | E4M | C31 H44 N6 O16 P | C[C@H]1[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FE9 | 1 | 1 |
2 | YGP | 0.595041 | 0.860215 |
3 | GP3 | 0.575221 | 0.778947 |
4 | I2C FE2 CMO CMO | 0.573529 | 0.935484 |
5 | GDP | 0.570175 | 0.776596 |
6 | GNH | 0.565217 | 0.787234 |
7 | GTP | 0.555556 | 0.776596 |
8 | GMV | 0.555556 | 0.778947 |
9 | G | 0.553571 | 0.784946 |
10 | 5GP | 0.553571 | 0.784946 |
11 | G1R | 0.550847 | 0.768421 |
12 | GCP | 0.550847 | 0.760417 |
13 | GNP | 0.546219 | 0.778947 |
14 | GSP | 0.546219 | 0.8 |
15 | 9GM | 0.546219 | 0.778947 |
16 | GPG | 0.544715 | 0.770833 |
17 | ZGP | 0.537313 | 0.833333 |
18 | G2R | 0.536585 | 0.752577 |
19 | GP2 | 0.529915 | 0.752577 |
20 | FEG | 0.529851 | 0.804124 |
21 | Y9Z | 0.527559 | 0.767677 |
22 | GKE | 0.527559 | 0.770833 |
23 | GDD | 0.527559 | 0.770833 |
24 | GDC | 0.527559 | 0.770833 |
25 | GAV | 0.52459 | 0.808511 |
26 | GFB | 0.523438 | 0.789474 |
27 | GDR | 0.523438 | 0.789474 |
28 | JB2 | 0.523077 | 0.789474 |
29 | G3A | 0.51938 | 0.778947 |
30 | GPD | 0.519084 | 0.802083 |
31 | ALF 5GP | 0.516667 | 0.755102 |
32 | G5P | 0.515385 | 0.778947 |
33 | GDP BEF | 0.512397 | 0.787234 |
34 | GTG | 0.511628 | 0.791667 |
35 | G2P | 0.508197 | 0.752577 |
36 | 6CK | 0.507692 | 0.755102 |
37 | GKD | 0.5 | 0.770833 |
38 | U2G | 0.49635 | 0.791667 |
39 | GDX | 0.496241 | 0.778947 |
40 | GTP MG | 0.495935 | 0.784946 |
41 | CG2 | 0.489209 | 0.791667 |
42 | JB3 | 0.489051 | 0.8 |
43 | NGD | 0.485507 | 0.789474 |
44 | GDP AF3 | 0.480315 | 0.755102 |
45 | GDP ALF | 0.480315 | 0.755102 |
46 | TPG | 0.47619 | 0.792079 |
47 | PGD | 0.472603 | 0.840426 |
48 | 2MD | 0.464789 | 0.852632 |
49 | KB7 | 0.463415 | 0.686869 |
50 | GDP 7MG | 0.459259 | 0.789474 |
51 | GMP | 0.455357 | 0.684211 |
52 | CAG | 0.455172 | 0.77 |
53 | MGD | 0.455172 | 0.852632 |
54 | MD1 | 0.452703 | 0.833333 |
55 | G4M | 0.44586 | 0.752475 |
56 | KBD | 0.439394 | 0.686869 |
57 | G3D | 0.4375 | 0.765957 |
58 | G4P | 0.430769 | 0.765957 |
59 | 0O2 | 0.428571 | 0.765957 |
60 | DBG | 0.427632 | 0.78125 |
61 | 3GP | 0.421488 | 0.755319 |
62 | GPC | 0.416107 | 0.767677 |
63 | KBJ | 0.416058 | 0.683168 |
64 | AKW | 0.413793 | 0.8125 |
65 | G1G | 0.410596 | 0.802083 |
66 | PGD O | 0.406452 | 0.85567 |
67 | GH3 | 0.401515 | 0.757895 |
68 | G1R G1R | 0.4 | 0.762887 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4yt4.bio1) has 43 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4yt4.bio1) has 43 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |