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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 26 families. | |||||
1 | 3VNJ | - | PSJ | C6 H12 O6 | C([C@H]([C.... |
2 | 3VNM | - | SDD | C6 H12 O6 | C([C@H]([C.... |
3 | 3VNK | - | FUD | C6 H12 O6 | C([C@H]([C.... |
4 | 3VNL | - | TAG | C6 H12 O6 | C([C@H]([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 3VNJ | - | PSJ | C6 H12 O6 | C([C@H]([C.... |
2 | 3VNM | - | SDD | C6 H12 O6 | C([C@H]([C.... |
3 | 3VNK | - | FUD | C6 H12 O6 | C([C@H]([C.... |
4 | 3VNL | - | TAG | C6 H12 O6 | C([C@H]([C.... |
5 | 2QUN | - | FUD | C6 H12 O6 | C([C@H]([C.... |
6 | 2QUM | - | TAG | C6 H12 O6 | C([C@H]([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SDD | 1 | 1 |
2 | PSJ | 1 | 1 |
3 | FUD | 1 | 1 |
4 | SOL | 1 | 1 |
5 | LPK | 1 | 1 |
6 | TAG | 1 | 1 |
7 | QDK | 0.551724 | 0.956522 |
8 | RBL | 0.551724 | 0.956522 |
9 | XUL | 0.551724 | 0.956522 |
10 | F6R | 0.5 | 0.628571 |
11 | TG6 | 0.5 | 0.628571 |
12 | 3MF | 0.432432 | 0.846154 |
13 | 5FX | 0.424242 | 0.88 |
14 | LER | 0.413793 | 0.956522 |
15 | GCO | 0.411765 | 0.913043 |
16 | CS2 | 0.411765 | 0.913043 |
17 | I22 | 0.404762 | 0.628571 |
This union binding pocket(no: 1) in the query (biounit: 3vnm.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3QVP | FAD | 2.04778 |
2 | 3EMZ | HXH | 2.04778 |
3 | 4EMI | FAD | 2.04778 |
4 | 3PLS | ANP | 2.38908 |
5 | 1GPE | FAD | 2.73038 |
6 | 1OH2 | SUC | 2.73038 |
7 | 1A0T | SUC | 2.73038 |
8 | 5G1N | PAL | 2.73038 |
9 | 1M5W | DXP | 2.88066 |
10 | 2R0H | CTO | 3.04878 |
11 | 3V99 | ACD | 3.07167 |
12 | 1XLI | GLT | 3.07167 |
13 | 5LVP | ATP | 3.07167 |
14 | 2OVW | CBI | 3.07167 |
15 | 2GYI | HYA | 3.41297 |
16 | 2JLD | AG1 | 3.41297 |
17 | 1B4N | GUA | 3.41297 |
18 | 3NZ1 | 3NY | 3.44828 |
19 | 3OVR | 5SP | 3.50877 |
20 | 1DE6 | RNS | 3.75427 |
21 | 4V15 | PLP | 4.09556 |
22 | 3PA8 | 621 | 4.33071 |
23 | 2I56 | RNS | 4.43686 |
24 | 4IMG | NGF | 4.43686 |
25 | 6FOG | OXL | 4.46429 |
26 | 1QH5 | GBP | 5 |
27 | 3UG4 | AHR | 5.11945 |
28 | 5Y72 | DST | 5.11945 |
29 | 2F5X | ASP | 5.11945 |
30 | 3OQJ | 3CX | 5.44747 |
31 | 4D1J | DGJ | 5.46075 |
32 | 2Q1A | 2KT | 6.14334 |
33 | 2B1Q | TRE | 6.14754 |
34 | 4S00 | AKR | 6.82594 |
35 | 3TFC | PEP | 6.82594 |
36 | 1EP2 | ORO | 6.89655 |
37 | 5JSP | DQY | 7.46269 |
38 | 6HL7 | CP | 7.50853 |
39 | 1MFA | GLA MMA ABE | 7.87402 |
40 | 2Y88 | 2ER | 8.19672 |
41 | 1RZM | PEP | 8.87372 |
42 | 4LKK | SIA GAL | 8.92857 |
43 | 3DX5 | DHB | 9.09091 |
44 | 5FPE | 3TR | 10.2389 |
45 | 5KJW | 53C | 10.9215 |
46 | 1XIM | XYL | 11.2628 |
47 | 1R37 | NAD | 12.2867 |
48 | 1I7M | CG | 13.4328 |
49 | 2BOS | GLA GAL GLC NBU | 22.0588 |
50 | 2BOS | GLA GAL GLC | 22.0588 |
51 | 5H1W | LER | 42.4138 |
This union binding pocket(no: 2) in the query (biounit: 3vnm.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2NLI | LAC | 1.70648 |
2 | 1KKR | 2AS | 2.04778 |
3 | 1GYM | MYG | 2.04778 |
4 | 1QFT | HSM | 2.28571 |
5 | 5E9G | GLV | 2.73038 |
6 | 1ZPT | FAD | 4.09556 |
7 | 5XWC | 2IT | 4.09556 |
8 | 5XWC | NAP | 4.09556 |
9 | 5XWC | 8GL | 4.09556 |
10 | 3I9U | DTU | 4.18251 |
11 | 5KGS | 6SR | 4.43686 |
12 | 4MNS | 2AX | 5.03145 |
13 | 4NNB | OAA | 5.11945 |
14 | 1BZL | FAD | 5.80205 |
15 | 3HYW | DCQ | 6.48464 |
16 | 2ZYJ | PGU | 6.82594 |
17 | 5GUD | 2IT | 7.21868 |
18 | 5GUD | NDP | 7.21868 |
19 | 5IXH | OTP | 7.45342 |
20 | 2B4B | B33 | 8.18713 |
This union binding pocket(no: 3) in the query (biounit: 3vnm.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3WG3 | A2G GAL NAG FUC | 1.1236 |
2 | 4CCO | OGA | 2.04778 |
3 | 1V0L | XIF XYP | 2.38908 |
4 | 2W5F | XYP XYP XYP | 2.73038 |
5 | 5JR6 | 01B PRO PRO ALA NH2 | 2.73038 |
6 | 2WZE | XYP XYP XYP | 2.73038 |
7 | 3QTP | 2PG | 2.73038 |
8 | 2EB5 | OXL | 2.99625 |
9 | 3RUV | ANP | 3.07167 |
10 | 5L2R | LMR | 3.75427 |
11 | 4WB6 | ATP | 3.75427 |
12 | 5JOX | EDG | 4.09556 |
13 | 2QCS | ANP | 5.46075 |
14 | 3ALN | ANP | 5.46075 |
15 | 5U61 | 7WG | 5.88235 |
16 | 3ZJX | BOG | 6.14334 |
17 | 4PMZ | BXP | 6.82594 |
18 | 3FHI | ANP | 7.79221 |
19 | 5F7U | GLC GLC | 9.55631 |
This union binding pocket(no: 4) in the query (biounit: 3vnm.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1ULE | GLA GAL NAG | None |
2 | 5GOO | FRU | 2.73038 |
3 | 5NH6 | XYL | 3.41297 |
4 | 2Q3M | MLA | 4.43686 |
5 | 5VZ0 | ADP | 4.77816 |
6 | 4AT0 | FAD | 5.11945 |
7 | 5WBF | LAC | 5.18518 |
8 | 1EP2 | FMN | 6.89655 |
9 | 2X32 | OTP | 7.82123 |