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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 3 families. | |||||
1 | 3C3N | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
2 | 2E6D | - | FUM | C4 H4 O4 | C(=C/C(=O).... |
3 | 4WZH | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
4 | 1JQX | Kd = 95 uM | ORO | C5 H4 N2 O4 | C1=C(NC(=O.... |
5 | 1JQV | Kd = 117 uM | ORO | C5 H4 N2 O4 | C1=C(NC(=O.... |
6 | 2DOR | - | ORO | C5 H4 N2 O4 | C1=C(NC(=O.... |
7 | 1DOR | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
8 | 1JRB | Kd = 1450 uM | ORO | C5 H4 N2 O4 | C1=C(NC(=O.... |
9 | 1JUE | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
10 | 1OVD | Kd = 7.6 uM | ORO | C5 H4 N2 O4 | C1=C(NC(=O.... |
11 | 1JRC | Kd = 44 uM | ORO | C5 H4 N2 O4 | C1=C(NC(=O.... |
12 | 2BX7 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
13 | 2BSL | Kd = 8 uM | DHB | C7 H6 O4 | c1cc(c(cc1.... |
14 | 1JUB | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
15 | 4EF8 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
16 | 3MJY | Ki = 82.8 uM | IJZ | C5 H5 N3 O4 | C1(=C(NC(=.... |
17 | 4EF9 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
18 | 3MHU | Ki = 212.93 uM | EJZ | C5 H3 N3 O6 | C1(=C(NC(=.... |
19 | 3TQ0 | - | FUM | C4 H4 O4 | C(=C/C(=O).... |
20 | 2B4G | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
21 | 5XFV | Kd = 0.000000012 uM | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 3C3N | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
2 | 2E6D | - | FUM | C4 H4 O4 | C(=C/C(=O).... |
3 | 4WZH | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
4 | 1JQX | Kd = 95 uM | ORO | C5 H4 N2 O4 | C1=C(NC(=O.... |
5 | 1JQV | Kd = 117 uM | ORO | C5 H4 N2 O4 | C1=C(NC(=O.... |
6 | 2DOR | - | ORO | C5 H4 N2 O4 | C1=C(NC(=O.... |
7 | 1DOR | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
8 | 1JRB | Kd = 1450 uM | ORO | C5 H4 N2 O4 | C1=C(NC(=O.... |
9 | 1JUE | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
10 | 1OVD | Kd = 7.6 uM | ORO | C5 H4 N2 O4 | C1=C(NC(=O.... |
11 | 1JRC | Kd = 44 uM | ORO | C5 H4 N2 O4 | C1=C(NC(=O.... |
12 | 2BX7 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
13 | 2BSL | Kd = 8 uM | DHB | C7 H6 O4 | c1cc(c(cc1.... |
14 | 1JUB | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
15 | 4EF8 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
16 | 3MJY | Ki = 82.8 uM | IJZ | C5 H5 N3 O4 | C1(=C(NC(=.... |
17 | 4EF9 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
18 | 3MHU | Ki = 212.93 uM | EJZ | C5 H3 N3 O6 | C1(=C(NC(=.... |
19 | 3TQ0 | - | FUM | C4 H4 O4 | C(=C/C(=O).... |
20 | 2B4G | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
21 | 5XFV | Kd = 0.000000012 uM | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
22 | 3OIX | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FMN | 1 | 1 |
2 | RBF | 0.75641 | 0.876712 |
3 | 9O9 | 0.574468 | 0.934211 |
4 | RS3 | 0.571429 | 0.831169 |
5 | FAD | 0.543307 | 0.876543 |
6 | FAS | 0.543307 | 0.876543 |
7 | FAE | 0.539062 | 0.865854 |
8 | 5DD | 0.475248 | 0.972603 |
9 | LFN | 0.475 | 0.643836 |
10 | C3F | 0.473684 | 0.74359 |
11 | CF4 | 0.463918 | 0.734177 |
12 | FAY | 0.446043 | 0.864198 |
13 | FNR | 0.444444 | 0.909091 |
14 | RFL | 0.442857 | 0.845238 |
15 | 4LS | 0.411215 | 0.875 |
16 | 1VY | 0.406593 | 0.769231 |
17 | DLZ | 0.404494 | 0.782051 |
This union binding pocket(no: 1) in the query (biounit: 3c3n.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1TV5 | FMN | 14.7436 |
2 | 1TV5 | FMN | 14.7436 |
3 | 1GTE | IUR | 27.5641 |
4 | 1GTE | FMN | 27.5641 |
5 | 1GTE | FMN | 27.5641 |
6 | 1GTE | IUR | 27.5641 |
7 | 1UUO | ORO | 42.6282 |
8 | 1UUO | BRF | 42.6282 |
9 | 1UUO | FMN | 42.6282 |
10 | 4ORM | 2V6 | 44.5513 |
11 | 4ORM | FMN | 44.5513 |
12 | 4ORM | ORO | 44.5513 |
This union binding pocket(no: 2) in the query (biounit: 3c3n.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1TV5 | FMN | 14.7436 |
2 | 1TV5 | FMN | 14.7436 |
3 | 1GTE | IUR | 27.5641 |
4 | 1GTE | FMN | 27.5641 |
5 | 1GTE | FMN | 27.5641 |
6 | 1GTE | IUR | 27.5641 |
7 | 1UUO | FMN | 42.6282 |
8 | 1UUO | ORO | 42.6282 |
9 | 1UUO | BRF | 42.6282 |
10 | 4ORM | ORO | 44.5513 |
11 | 4ORM | 2V6 | 44.5513 |
12 | 4ORM | FMN | 44.5513 |
This union binding pocket(no: 3) in the query (biounit: 3c3n.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1TV5 | ORO | 14.7436 |
2 | 1TV5 | ORO | 14.7436 |
3 | 1TV5 | FMN | 14.7436 |
4 | 1TV5 | FMN | 14.7436 |
5 | 1UUO | FMN | 42.6282 |
6 | 1UUO | BRF | 42.6282 |
7 | 1UUO | ORO | 42.6282 |
8 | 4ORM | ORO | 44.5513 |
9 | 4ORM | FMN | 44.5513 |
10 | 4ORM | 2V6 | 44.5513 |
This union binding pocket(no: 4) in the query (biounit: 3c3n.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1TV5 | ORO | 14.7436 |
2 | 1TV5 | ORO | 14.7436 |
3 | 1TV5 | FMN | 14.7436 |
4 | 1TV5 | FMN | 14.7436 |
5 | 1UUO | ORO | 42.6282 |
6 | 1UUO | FMN | 42.6282 |
7 | 1UUO | BRF | 42.6282 |
8 | 4ORM | FMN | 44.5513 |
9 | 4ORM | ORO | 44.5513 |
10 | 4ORM | 2V6 | 44.5513 |