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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 247 families. | |||||
1 | 2ZD0 | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
2 | 2ZCZ | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
3 | 2EXT | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
4 | 1QAW | Kd = 7.5 uM | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
5 | 2EXS | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
6 | 3ZZL | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
7 | 3ZZS | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
8 | 1WAP | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
9 | 3ZZQ | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 209 families. | |||||
1 | 2ZD0 | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
2 | 2ZCZ | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
3 | 2EXT | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
4 | 1QAW | Kd = 7.5 uM | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
5 | 2EXS | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
6 | 3ZZL | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
7 | 3ZZS | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
8 | 1WAP | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
9 | 3ZZQ | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DTR | 1 | 1 |
2 | TRP | 1 | 1 |
3 | LTN | 0.765957 | 0.777778 |
4 | TR7 | 0.666667 | 0.833333 |
5 | 3IL | 0.666667 | 0.75 |
6 | 4Z9 | 0.666667 | 0.75 |
7 | FT6 | 0.561404 | 0.888889 |
8 | IAC | 0.538462 | 0.787879 |
9 | TSR | 0.529412 | 0.722222 |
10 | IOP | 0.518519 | 0.764706 |
11 | R59 | 0.515152 | 0.72093 |
12 | R38 | 0.515152 | 0.72093 |
13 | 3IB | 0.491228 | 0.742857 |
14 | ITW | 0.491228 | 0.694444 |
15 | IAD | 0.484375 | 0.738095 |
16 | TRP GLY | 0.476923 | 0.704545 |
17 | TSS | 0.471698 | 0.666667 |
18 | CTE | 0.467742 | 0.888889 |
19 | DTE | 0.467742 | 0.888889 |
20 | IAV | 0.461538 | 0.738095 |
21 | IAG | 0.459016 | 0.738095 |
22 | LYS TRP | 0.432432 | 0.673913 |
23 | 78U | 0.42623 | 0.794118 |
24 | 0ZN | 0.421687 | 0.673913 |
25 | 4OG | 0.416667 | 0.8 |
26 | X95 | 0.411765 | 0.680851 |
27 | LSW | 0.411765 | 0.680851 |
28 | ASP TRP ASN | 0.405063 | 0.673913 |
29 | GLU ASP ASN ASP TRP ASN | 0.405063 | 0.673913 |
This union binding pocket(no: 1) in the query (biounit: 1qaw.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2E1A | MSE | None |
2 | 1QKQ | MAN | None |
3 | 5EHS | 2JJ | None |
4 | 5EHS | 5OY | None |
5 | 5YJS | SAL | None |
6 | 2WE0 | UMP | None |
7 | 2ZRU | FMN | None |
8 | 4BI7 | PGA | None |
9 | 1WUB | OTP | None |
10 | 1X8X | TYR | None |
11 | 3TAY | MN0 | None |
12 | 5A89 | FMN | None |
13 | 5A89 | ADP | None |
14 | 2Q4W | FAD | 4.05405 |
15 | 5HWV | MBN | 4.05405 |
16 | 5L2R | MLA | 5.40541 |
17 | 3AB1 | FAD | 5.40541 |
18 | 3ITJ | CIT | 6.75676 |
19 | 5WXU | FLC | 6.75676 |
20 | 4I54 | 1C1 | 6.75676 |
21 | 1QY1 | PRZ | 8.10811 |
22 | 6AC9 | ANP | 8.10811 |
23 | 4B2Z | P5S | 8.10811 |
24 | 1EWF | PC1 | 8.10811 |
25 | 4CNE | SAH | 8.10811 |
26 | 1FFU | CDP | 8.10811 |
27 | 5UIU | 8CG | 8.10811 |
28 | 5D9G | GLU ASN LEU TYR PHE GLN | 8.10811 |
29 | 6FL8 | ADP | 8.10811 |
30 | 6FL8 | TIY | 8.10811 |
31 | 1SBR | VIB | 8.10811 |
32 | 4XPQ | FUL | 9.45946 |
33 | 1M5B | BN1 | 9.45946 |
34 | 6AMI | TRP | 9.45946 |
35 | 5U98 | 1KX | 9.45946 |
36 | 3O0Q | ADN | 9.45946 |
37 | 3O0Q | GDP | 9.45946 |
38 | 2GKS | ADP | 9.45946 |
39 | 2RCU | BUJ | 10.8108 |
40 | 1DZK | PRZ | 10.8108 |
41 | 3JYN | NDP | 10.8108 |
42 | 1RM6 | PCD | 10.8108 |
43 | 1V0O | INR | 10.8108 |
44 | 4BVA | T3 | 12.1622 |
45 | 4MKF | AP5 | 12.1622 |
46 | 4NU0 | AP5 | 12.1622 |
47 | 1JIL | 485 | 12.1622 |
48 | 2IU8 | PLM | 13.5135 |
49 | 5X9D | 80F | 13.5135 |
50 | 6GWR | FEW | 14.8649 |
51 | 4DPL | NAP | 14.8649 |
52 | 5KJW | 53C | 14.8649 |
53 | 4I53 | 1C1 | 14.8649 |
54 | 4K55 | H6P | 16.2162 |
55 | 2GQT | FAD | 16.2162 |
56 | 6GAS | FAD | 16.2162 |
57 | 1D6H | COA | 16.2162 |
58 | 1BZL | GCG | 18.9189 |
59 | 5MY8 | RXZ | 18.9189 |
60 | 1T3Q | MCN | 20.2703 |
61 | 1VR0 | 3SL | 22.973 |
62 | 3H0L | ADP | 22.973 |
63 | 5Z2L | NDP | 22.973 |
64 | 1XV5 | UDP | 22.973 |
65 | 3WGT | FAD | 22.973 |
66 | 1RM0 | NAI | 39.1892 |
This union binding pocket(no: 2) in the query (biounit: 1qaw.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2VN9 | GVD | None |
2 | 4YMZ | 13P | None |
3 | 4X8O | AP5 | None |
4 | 2VVL | FAD | None |
5 | 4ER2 | IVA VAL VAL STA ALA STA | None |
6 | 1VBO | MAN MAN MAN | None |
7 | 3RWP | ABQ | 2.7027 |
8 | 5VIT | MLI | 4.05405 |
9 | 3BJE | URA | 4.05405 |
10 | 3FB4 | AP5 | 5.40541 |
11 | 1U1I | NAD | 5.40541 |
12 | 5A7V | BMA | 5.40541 |
13 | 5A7V | MAN | 5.40541 |
14 | 6FYJ | MYR | 8.10811 |
15 | 4QYS | PLP SEP | 8.10811 |
16 | 4D9C | PMP | 8.10811 |
17 | 3QWB | NDP | 9.45946 |
18 | 3CTY | FAD | 10.8108 |
19 | 5G41 | AP5 | 12.1622 |
20 | 4MKG | AP5 | 12.1622 |
21 | 1WA5 | GTP | 14.8649 |
22 | 5O2N | FLC | 16.2162 |
23 | 1ZTH | ADP | 16.2162 |
24 | 3LZW | FAD | 17.5676 |
25 | 2IO8 | ADP | 22.973 |
26 | 2UUU | PL3 | 33.7838 |
27 | 2UUU | FAD | 33.7838 |
28 | 1RM0 | D6P | 39.1892 |
29 | 5UAV | NDP | 39.1892 |
30 | 5UAV | TFB | 39.1892 |
31 | 5AXH | GLC GLC GLC GLC | 40.5405 |
This union binding pocket(no: 3) in the query (biounit: 1qaw.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3UBW | 6SP | None |
2 | 5F90 | LMR | None |
3 | 4TS1 | TYR | None |
4 | 5F6U | 5VK | None |
5 | 2H29 | DND | None |
6 | 5KQG | 6VX | 4.05405 |
7 | 1JG3 | ADN | 5.40541 |
8 | 5XVG | 8FX | 5.40541 |
9 | 3T4L | ZEA | 6.75676 |
10 | 6B3V | ANP | 8.10811 |
11 | 4RF2 | NAP | 9.45946 |
12 | 1E1O | LYS | 10.8108 |
13 | 4E93 | GUI | 10.8108 |
14 | 4YJK | URA | 14.8649 |
15 | 5VAD | 91Y | 16.2162 |
16 | 5C5H | 4YB | 18.9189 |
17 | 4BHN | BH9 | 20.2703 |
18 | 4ZOH | MCN | 47.2973 |
This union binding pocket(no: 4) in the query (biounit: 1qaw.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2XMY | CDK | None |
2 | 4MDB | RLT | None |
3 | 5A96 | GTP | 4.05405 |
4 | 1UNH | IXM | 4.05405 |
5 | 4P8K | 38C | 4.05405 |
6 | 4P8K | FAD | 4.05405 |
7 | 4AU8 | Z3R | 4.05405 |
8 | 4UP3 | FAD | 4.05405 |
9 | 2GJ5 | VD3 | 4.05405 |
10 | 2YAK | OSV | 5.40541 |
11 | 6FP4 | E1T | 6.75676 |
12 | 1JXN | MFU | 6.75676 |
13 | 4A59 | AMP | 8.10811 |
14 | 2F9W | PAU | 8.10811 |
15 | 3KDM | TES | 8.10811 |
16 | 4J56 | FAD | 8.10811 |
17 | 5U5G | 7VD | 9.45946 |
18 | 4XFR | CIT | 10.8108 |
19 | 3FIU | AMP | 10.8108 |
20 | 5X8G | S0N | 12.1622 |
21 | 5V8E | CIT | 13.5135 |
22 | 1XF1 | CIT | 14.8649 |
23 | 1FL2 | FAD | 14.8649 |
24 | 1ZVW | PRP | 18.9189 |
25 | 5KXE | 6Y2 | 18.9189 |
26 | 3IAE | D7K | 20.2703 |
This union binding pocket(no: 7) in the query (biounit: 1qaw.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5EYW | PGA | None |
2 | 6BVE | PGA | None |
3 | 3HGM | ATP | None |
4 | 3ZJX | BOG | None |
5 | 2BTM | PGA | 2.7027 |
6 | 3PP0 | 03Q | 4.05405 |
7 | 2PHX | MAN MAN MAN MAN | 4.05405 |
8 | 2GZ3 | NAP | 4.05405 |
9 | 5UR1 | YY9 | 5.40541 |
10 | 1H74 | ADP | 6.75676 |
11 | 1H74 | ILE | 6.75676 |
12 | 3THR | C2F | 8.10811 |
13 | 4DDY | DN6 | 8.10811 |
14 | 1TZD | ADP | 10.8108 |
15 | 5A1S | FLC | 12.1622 |
16 | 3DOO | SKM | 12.1622 |
17 | 2HK5 | 1BM | 12.1622 |
18 | 4BR5 | ANP | 13.5135 |
19 | 5ECP | ATP | 14.8649 |
20 | 1S3G | AP5 | 21.6216 |
21 | 1F0X | FAD | 21.6216 |
This union binding pocket(no: 8) in the query (biounit: 1qaw.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5N26 | CPT | None |
2 | 5NNS | AKR | None |
3 | 5URY | PAM | None |
4 | 1RJW | ETF | 5.40541 |
5 | 4D7E | FAD | 5.40541 |
6 | 5ODT | ADP | 6.75676 |
7 | 4D57 | ARG AMP | 8.10811 |
8 | 5EYY | MDM | 9.45946 |
9 | 5DKK | FMN | 9.45946 |
10 | 4UP4 | NDG | 10.8108 |
11 | 4UP4 | NAG | 10.8108 |
12 | 4WHZ | 3NL | 12.1622 |
13 | 2Z6C | FMN | 12.1622 |
14 | 5ZYN | FAD | 14.8649 |
15 | 5ZYN | FMN | 14.8649 |
16 | 4WB6 | ATP | 32.4324 |
This union binding pocket(no: 9) in the query (biounit: 1qaw.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2WEL | K88 | 6.75676 |
2 | 4Y8D | 49J | 14.8649 |
This union binding pocket(no: 11) in the query (biounit: 1qaw.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3C3N | FMN | None |
2 | 1M5W | DXP | 2.7027 |
3 | 4LY9 | S6P | 4.05405 |
4 | 4LY9 | 1YY | 4.05405 |
5 | 3FHR | P4O | 4.05405 |
6 | 4C2V | YJA | 6.75676 |
7 | 3IGO | ANP | 8.10811 |
8 | 4M52 | M52 | 13.5135 |
9 | 1LVL | FAD | 16.2162 |
10 | 2WPF | WPF | 18.9189 |
11 | 2WPF | FAD | 18.9189 |
12 | 4AG8 | AXI | 18.9189 |
13 | 4W6Z | 8ID | 27.027 |