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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 277 families. | |||||
1 | 3NU7 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
2 | 3NUB | - | UD0 | C25 H34 N5 O22 P3 | Cc1c(c(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 212 families. | |||||
1 | 5U21 | - | TQP | C24 H35 N4 O19 P3 | Cc1c(c(c(c.... |
2 | 5U23 | - | TQP | C24 H35 N4 O19 P3 | Cc1c(c(c(c.... |
3 | 5U24 | - | 7SG | C24 H35 N4 O19 P3 | Cc1c(c(c(c.... |
4 | 1O69 | - | X04 | C8 H11 N2 O6 P | Cc1c(c(c(c.... |
5 | 1O61 | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
6 | 3FRK | - | TQP | C24 H35 N4 O19 P3 | Cc1c(c(c(c.... |
7 | 3NU7 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
8 | 3NUB | - | UD0 | C25 H34 N5 O22 P3 | Cc1c(c(c(c.... |
9 | 3BN1 | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
10 | 3DR4 | - | G4M | C24 H36 N7 O19 P3 | Cc1c(c(c(c.... |
11 | 3DR7 | - | GPD | C16 H26 N6 O13 P2 | C[C@@H]1[C.... |
12 | 2OGA | - | PGU | C13 H19 N2 O9 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | UD0 | 1 | 1 |
2 | 4RA | 0.792593 | 0.987013 |
3 | HP7 | 0.615385 | 0.87013 |
4 | MJZ | 0.610687 | 0.871795 |
5 | EEB | 0.553191 | 0.860759 |
6 | UD2 | 0.552239 | 0.858974 |
7 | UD1 | 0.552239 | 0.858974 |
8 | F5G | 0.547445 | 0.883117 |
9 | UGA | 0.546154 | 0.857143 |
10 | UGB | 0.546154 | 0.857143 |
11 | EPZ | 0.546099 | 0.871795 |
12 | 2QR | 0.546053 | 0.879518 |
13 | EPU | 0.542253 | 0.8375 |
14 | UGF | 0.541985 | 0.814815 |
15 | UD4 | 0.536232 | 0.871795 |
16 | F5P | 0.536232 | 0.871795 |
17 | UD7 | 0.532847 | 0.883117 |
18 | UDZ | 0.521127 | 0.819277 |
19 | UMA | 0.513333 | 0.871795 |
20 | U20 | 0.512987 | 0.781609 |
21 | U21 | 0.512987 | 0.781609 |
22 | AWU | 0.492424 | 0.87013 |
23 | UFM | 0.484848 | 0.846154 |
24 | UPG | 0.484848 | 0.846154 |
25 | GDU | 0.484848 | 0.846154 |
26 | U22 | 0.484076 | 0.784091 |
27 | 7SG | 0.477987 | 0.903614 |
28 | TQP | 0.477987 | 0.903614 |
29 | T5K | 0.475 | 0.915663 |
30 | T4K | 0.475 | 0.915663 |
31 | UPF | 0.474074 | 0.804878 |
32 | UFG | 0.474074 | 0.804878 |
33 | U2F | 0.474074 | 0.804878 |
34 | UAG | 0.472727 | 0.851852 |
35 | 12V | 0.472222 | 0.814815 |
36 | HWU | 0.472222 | 0.814815 |
37 | UDM | 0.471429 | 0.825 |
38 | USQ | 0.467153 | 0.75 |
39 | PMP UD1 | 0.463415 | 0.86747 |
40 | UDX | 0.463235 | 0.846154 |
41 | UAD | 0.463235 | 0.846154 |
42 | UML | 0.457143 | 0.802326 |
43 | G3N | 0.453237 | 0.825 |
44 | UNP | 0.446154 | 0.822785 |
45 | UTP | 0.445312 | 0.844156 |
46 | UDP | 0.444444 | 0.844156 |
47 | U5F | 0.44186 | 0.844156 |
48 | URM | 0.441176 | 0.8125 |
49 | 660 | 0.441176 | 0.8125 |
50 | 3UC | 0.429577 | 0.804878 |
51 | IUG | 0.426667 | 0.802326 |
52 | O1G | 0.419118 | 0.766234 |
53 | UDH | 0.413043 | 0.744186 |
54 | U5P | 0.408 | 0.831169 |
55 | U | 0.408 | 0.831169 |
56 | UPU | 0.407407 | 0.820513 |
57 | UPP | 0.402878 | 0.87013 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3nub.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5K8B | PDG | 34.8189 |
2 | 5K8B | PDG | 34.8189 |
3 | 5K8B | PDG | 34.8189 |
4 | 5K8B | PDG | 34.8189 |
5 | 5W71 | PLP | 38.4401 |
6 | 5W70 | 9YM | 38.9972 |
7 | 6EWR | PMP | 42.8969 |
8 | 6EWR | PMP | 42.8969 |
9 | 6EWR | PMP | 42.8969 |
10 | 6EWR | PMP | 42.8969 |
11 | 4ZAH | T5K | 43.454 |
12 | 4ZAH | T5K | 43.454 |
13 | 4ZAH | T5K | 43.454 |
14 | 2PO3 | T4K | 48.468 |
This union binding pocket(no: 2) in the query (biounit: 3nub.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5K8B | PDG | 34.8189 |
2 | 5K8B | PDG | 34.8189 |
3 | 5K8B | PDG | 34.8189 |
4 | 5K8B | PDG | 34.8189 |
5 | 5W71 | PLP | 38.4401 |
6 | 5W70 | 9YM | 38.9972 |
7 | 5W70 | 9YM | 38.9972 |
8 | 6EWR | PMP | 42.8969 |
9 | 6EWR | PMP | 42.8969 |
10 | 6EWR | PMP | 42.8969 |
11 | 6EWR | PMP | 42.8969 |