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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 13 families. | |||||
1 | 3IB2 | Kd = 480 uM | IBP | C13 H18 O2 | CC(C)Cc1cc.... |
2 | 3IB1 | Kd = 260 uM | IMN | C19 H16 Cl N O4 | Cc1c(c2cc(.... |
3 | 3KJ7 | - | GLC BGC BGC | n/a | n/a |
4 | 3IAZ | Kd = 330 uM | AIN | C9 H8 O4 | CC(=O)Oc1c.... |
5 | 3K0V | - | GLC GAL BGC | n/a | n/a |
6 | 3IB0 | - | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 1RYO | - | OXL | C2 O4 | C(=O)(C(=O.... |
2 | 3IB2 | Kd = 480 uM | IBP | C13 H18 O2 | CC(C)Cc1cc.... |
3 | 3IB1 | Kd = 260 uM | IMN | C19 H16 Cl N O4 | Cc1c(c2cc(.... |
4 | 3KJ7 | - | GLC BGC BGC | n/a | n/a |
5 | 3IAZ | Kd = 330 uM | AIN | C9 H8 O4 | CC(=O)Oc1c.... |
6 | 3K0V | - | GLC GAL BGC | n/a | n/a |
7 | 3IB0 | - | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
8 | 1IQ7 | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | XZ8 | 0.9293 |
2 | JMS | 0.9240 |
3 | 36Z | 0.9149 |
4 | ID8 | 0.9138 |
5 | QZ8 | 0.9102 |
6 | P9I | 0.9100 |
7 | 6J3 | 0.9099 |
8 | 25O | 0.9027 |
9 | 636 | 0.9020 |
10 | TLF | 0.9020 |
11 | 2LX | 0.9009 |
12 | 2GE | 0.8997 |
13 | 2GD | 0.8980 |
14 | B2T | 0.8975 |
15 | ABJ | 0.8954 |
16 | 43U | 0.8949 |
17 | SLY | 0.8941 |
18 | 17C | 0.8925 |
19 | 7NU | 0.8922 |
20 | 3B4 | 0.8903 |
21 | WVV | 0.8888 |
22 | TH4 | 0.8888 |
23 | URI | 0.8875 |
24 | BQ5 | 0.8874 |
25 | 6PB | 0.8867 |
26 | CJB | 0.8856 |
27 | CTN | 0.8856 |
28 | OFL | 0.8853 |
29 | AB3 | 0.8837 |
30 | DKZ | 0.8834 |
31 | 6KN | 0.8830 |
32 | 5E4 | 0.8823 |
33 | DKX | 0.8820 |
34 | 96R | 0.8814 |
35 | J47 | 0.8812 |
36 | K3Y | 0.8810 |
37 | AUV | 0.8805 |
38 | UUA | 0.8799 |
39 | RVC | 0.8798 |
40 | OBP | 0.8791 |
41 | ZY5 | 0.8773 |
42 | 1FL | 0.8769 |
43 | SOV | 0.8767 |
44 | RR7 GLC | 0.8762 |
45 | 2TU | 0.8754 |
46 | RVB | 0.8738 |
47 | ADN | 0.8737 |
48 | 56N | 0.8732 |
49 | 4E5 | 0.8732 |
50 | 5UD | 0.8731 |
51 | 43S | 0.8728 |
52 | KCH | 0.8725 |
53 | FNA | 0.8720 |
54 | GPK | 0.8714 |
55 | WUB | 0.8711 |
56 | X29 | 0.8710 |
57 | NFK | 0.8708 |
58 | Z15 | 0.8707 |
59 | 5P3 | 0.8707 |
60 | 683 | 0.8707 |
61 | AYS | 0.8706 |
62 | XYP GCU | 0.8705 |
63 | URD | 0.8702 |
64 | 4BH | 0.8699 |
65 | AKD | 0.8698 |
66 | Z57 | 0.8696 |
67 | 1ER | 0.8695 |
68 | 5AE | 0.8691 |
69 | NWW | 0.8690 |
70 | TYU | 0.8683 |
71 | H7S | 0.8683 |
72 | MEX | 0.8681 |
73 | DK4 | 0.8680 |
74 | GN6 | 0.8680 |
75 | THM | 0.8673 |
76 | AJD | 0.8668 |
77 | 3CA | 0.8665 |
78 | ZEB | 0.8664 |
79 | GEO | 0.8658 |
80 | A3K | 0.8652 |
81 | 3VO | 0.8650 |
82 | CJZ | 0.8649 |
83 | CTD | 0.8643 |
84 | 9RM | 0.8643 |
85 | GPQ | 0.8639 |
86 | SNI | 0.8638 |
87 | GPU | 0.8635 |
88 | AVA | 0.8635 |
89 | 4GP | 0.8635 |
90 | GLC GLC | 0.8634 |
91 | M4B | 0.8631 |
92 | 145 | 0.8629 |
93 | NOS | 0.8621 |
94 | 3RH | 0.8609 |
95 | EHR | 0.8607 |
96 | DNB | 0.8607 |
97 | 2AM | 0.8606 |
98 | A4G | 0.8605 |
99 | A9O | 0.8596 |
100 | TI7 | 0.8596 |
101 | BGC GLC | 0.8584 |
102 | Z2T | 0.8578 |
103 | FMB | 0.8574 |
104 | TBN | 0.8570 |
105 | 29B | 0.8566 |
106 | A7M | 0.8562 |
107 | RVD | 0.8551 |
108 | 4GU | 0.8550 |
109 | I5A | 0.8543 |
110 | 7ZL | 0.8540 |
111 | VCE | 0.8540 |
112 | W29 | 0.8534 |
113 | BP6 | 0.8530 |
This union binding pocket(no: 1) in the query (biounit: 3ib1.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |