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- Structure Biounit | Ligand Information
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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5BRP | - | PNG | C12 H15 N O8 | c1cc(ccc1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5ZCE | - | GLC GLC GLC GLC | n/a | n/a |
2 | 5ZCC | - | GLC GLC | n/a | n/a |
3 | 5ZCD | - | GLC GLC GLC | n/a | n/a |
4 | 4GI6 | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
5 | 2PWD | Ki = 40 uM | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
6 | 2PWG | Ki = 15 uM | CTS | C8 H15 N O4 | C1C[N@]2C[.... |
7 | 2PWF | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
8 | 2PWE | - | GLC FRU | n/a | n/a |
9 | 5BRP | - | PNG | C12 H15 N O8 | c1cc(ccc1[.... |
10 | 5WCZ | - | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
11 | 4M56 | - | GLO | C6 H12 O6 | C([C@H]([C.... |
12 | 3GBE | Ki = 10 uM | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
13 | 3AXH | - | GLC GLC | n/a | n/a |
14 | 3AXI | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
15 | 3A4A | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
16 | 3WY1 | - | PRU | C12 H18 O8 | C[C@H](C[C.... |
17 | 3WY2 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
18 | 3WY4 | - | GLC GLC | n/a | n/a |
19 | 4HOZ | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
20 | 4HPH | - | GLC FRU | n/a | n/a |
21 | 2ZID | - | GLC GLC GLC | n/a | n/a |
22 | 5DO8 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLA NPO | 1 | 1 |
2 | NBZ GLA | 1 | 1 |
3 | PNA | 1 | 1 |
4 | PNW | 1 | 1 |
5 | MBE | 1 | 1 |
6 | 147 | 1 | 1 |
7 | PNG | 1 | 1 |
8 | KHP | 0.895833 | 0.924528 |
9 | NGB | 0.754098 | 0.962264 |
10 | NPJ | 0.725806 | 0.962264 |
11 | NSQ | 0.706897 | 0.731343 |
12 | RCB | 0.703125 | 0.962264 |
13 | GAA | 0.661017 | 0.980769 |
14 | PNJ | 0.644068 | 0.910714 |
15 | GAT | 0.62963 | 0.716981 |
16 | JFZ | 0.614035 | 0.846154 |
17 | GAL PHB | 0.614035 | 0.634615 |
18 | 56N | 0.611111 | 0.647059 |
19 | LEC | 0.590909 | 0.836066 |
20 | 6ZC | 0.590909 | 0.836066 |
21 | 3XN | 0.589041 | 0.809524 |
22 | XTG | 0.577465 | 0.862069 |
23 | A2G NPO GAL | 0.575342 | 0.809524 |
24 | C3G | 0.57377 | 0.830189 |
25 | 3X8 | 0.566667 | 0.622642 |
26 | HNW | 0.548387 | 0.611111 |
27 | 145 | 0.53125 | 0.962264 |
28 | LAM | 0.530864 | 0.910714 |
29 | GLA BEZ | 0.507692 | 0.653846 |
30 | 6Y2 | 0.493671 | 0.796875 |
31 | LEC NGA | 0.493671 | 0.796875 |
32 | BDP NPO NDG BDP NDG | 0.442105 | 0.796875 |
33 | DCB | 0.432099 | 0.822581 |
34 | BDP NPO GNS BDP | 0.431579 | 0.675676 |
35 | SA0 | 0.430769 | 0.622642 |
36 | BDP NPO GNS BDP GNS BDP GNS | 0.427083 | 0.689189 |
37 | 6GR | 0.426471 | 0.641509 |
38 | A24 | 0.425287 | 0.689189 |
39 | 1DM | 0.425287 | 0.68 |
40 | NFG | 0.424658 | 0.836066 |
41 | M2F | 0.424658 | 0.836066 |
42 | 7KP | 0.410959 | 0.622642 |
43 | 04G GAL | 0.407895 | 0.637931 |
44 | MBF NIN BMA BMA | 0.406977 | 0.822581 |
45 | A32 | 0.406593 | 0.689189 |
46 | XYS NPO XYS | 0.405405 | 0.907407 |
47 | AI1 | 0.4 | 0.610169 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BO1 | 0.9537 |
2 | GAL NPO | 0.9246 |
3 | 0QX | 0.9118 |
4 | KVW | 0.9093 |
5 | 40W | 0.9085 |
6 | KVQ | 0.9064 |
7 | INI | 0.9042 |
8 | MRE | 0.9032 |
9 | 8QE | 0.9022 |
10 | F1T | 0.9012 |
11 | CT7 | 0.9012 |
12 | KUQ | 0.9005 |
13 | 5YA | 0.8998 |
14 | 88X | 0.8996 |
15 | J45 | 0.8994 |
16 | F0C | 0.8980 |
17 | J90 | 0.8975 |
18 | GYZ | 0.8974 |
19 | TYP | 0.8965 |
20 | KVN | 0.8951 |
21 | 2UV | 0.8935 |
22 | IDD | 0.8927 |
23 | 73E | 0.8925 |
24 | QC1 | 0.8917 |
25 | NAR | 0.8894 |
26 | BXZ | 0.8886 |
27 | T5J | 0.8874 |
28 | 97K | 0.8868 |
29 | 122 | 0.8844 |
30 | 338 | 0.8838 |
31 | U55 | 0.8837 |
32 | 801 | 0.8835 |
33 | 121 | 0.8835 |
34 | 22M | 0.8828 |
35 | VT3 | 0.8816 |
36 | 5WW | 0.8806 |
37 | 120 | 0.8803 |
38 | 08C | 0.8795 |
39 | M3W | 0.8795 |
40 | 6MY | 0.8793 |
41 | FLF | 0.8785 |
42 | 6BK | 0.8784 |
43 | EMU | 0.8784 |
44 | NPZ | 0.8782 |
45 | NQK | 0.8768 |
46 | 135 | 0.8766 |
47 | XYS XYS | 0.8747 |
48 | B7H | 0.8735 |
49 | BNY | 0.8734 |
50 | JFS | 0.8731 |
51 | LOX XYP | 0.8730 |
52 | ECZ | 0.8724 |
53 | 5TU | 0.8724 |
54 | BJ4 | 0.8724 |
55 | LU2 | 0.8723 |
56 | MHB | 0.8717 |
57 | 7ZO | 0.8715 |
58 | LI4 | 0.8711 |
59 | JD7 | 0.8706 |
60 | E2N | 0.8698 |
61 | MXA | 0.8696 |
62 | NW1 | 0.8695 |
63 | ZZ1 GAL | 0.8694 |
64 | J71 | 0.8689 |
65 | JZR | 0.8686 |
66 | 25K | 0.8685 |
67 | 8E3 | 0.8677 |
68 | GVI | 0.8676 |
69 | 7WD | 0.8675 |
70 | GEN | 0.8671 |
71 | 1V8 | 0.8669 |
72 | 2ZI | 0.8666 |
73 | IY5 | 0.8662 |
74 | NU3 | 0.8661 |
75 | B1N | 0.8651 |
76 | W8L | 0.8632 |
77 | SGW | 0.8629 |
78 | 91F | 0.8628 |
79 | 8XY | 0.8623 |
80 | PTQ | 0.8622 |
81 | XJG | 0.8620 |
82 | 697 | 0.8619 |
83 | OUG | 0.8619 |
84 | 1Q2 | 0.8616 |
85 | RNP | 0.8613 |
86 | TH4 | 0.8610 |
87 | FO2 | 0.8608 |
88 | RCM | 0.8603 |
89 | 7FC | 0.8600 |
90 | KTV | 0.8600 |
91 | 1UR | 0.8597 |
92 | XAV | 0.8594 |
93 | GJW | 0.8589 |
94 | J3B | 0.8583 |
95 | C5Q | 0.8582 |
96 | 3G5 | 0.8582 |
97 | 6JP | 0.8580 |
98 | 3TI | 0.8573 |
99 | 1UT | 0.8570 |
100 | 4K9 | 0.8567 |
101 | FE5 | 0.8566 |
102 | SZ5 | 0.8564 |
103 | J8D | 0.8564 |
104 | KS2 | 0.8556 |
105 | T98 | 0.8552 |
106 | B1W | 0.8551 |
107 | 3F4 | 0.8542 |
108 | TVZ | 0.8527 |
109 | 1V0 | 0.8525 |
110 | 0FZ | 0.8513 |
111 | LZK | 0.8513 |
This union binding pocket(no: 1) in the query (biounit: 5brp.bio3) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5brp.bio2) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5brp.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |