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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 35 families. | |||||
1 | 1RVZ | - | SIA GAL NAG | n/a | n/a |
2 | 1RVX | - | SIA GAL NAG | n/a | n/a |
3 | 1RV0 | - | NDG | C8 H15 N O6 | CC(=O)N[C@.... |
4 | 1RVT | - | SIA GAL | n/a | n/a |
5 | 4BH3 | Kd = 12 mM | SIA GAL NAG | n/a | n/a |
6 | 4CQW | - | SIA GAL NAG | n/a | n/a |
7 | 4BH0 | Kd = 17 mM | SIA GAL NAG | n/a | n/a |
8 | 3ZNL | - | SIA GLA NGS FUC | n/a | n/a |
9 | 1JSO | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
10 | 3ZP2 | - | SIA GAL | n/a | n/a |
11 | 4CQY | - | SIA GAL NAG | n/a | n/a |
12 | 4BGX | Kd = 1.7 mM | SIA GAL | n/a | n/a |
13 | 4CQR | - | SIA GAL | n/a | n/a |
14 | 4BH4 | Kd = 32 mM | SIA GAL NAG | n/a | n/a |
15 | 1JSN | - | SIA GAL NAG | n/a | n/a |
16 | 4CQX | - | SIA GAL NAG | n/a | n/a |
17 | 4BH1 | Kd = 1.1 mM | SIA GAL NAG | n/a | n/a |
18 | 4KDO | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
19 | 3ZNM | - | SIA GLA NAG FUC | n/a | n/a |
20 | 4KDN | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
21 | 4CQU | - | SIA GAL | n/a | n/a |
22 | 5AJM | - | SIA GAL NAG | n/a | n/a |
23 | 4D00 | - | SIA GAL NAG | n/a | n/a |
24 | 5TH1 | - | SIA GAL NAG | n/a | n/a |
25 | 4CYZ | - | SIA GAL NAG | n/a | n/a |
26 | 5TGU | - | SIA GAL NAG | n/a | n/a |
27 | 3UBQ | - | SIA GAL | n/a | n/a |
28 | 3UBE | - | NAG SIA GAL | n/a | n/a |
29 | 3UBJ | - | SIA GAL | n/a | n/a |
30 | 4N62 | - | SIA GAL NGS | n/a | n/a |
31 | 4BSH | - | SIA GAL | n/a | n/a |
32 | 4BSB | - | SIA GAL NAG | n/a | n/a |
33 | 4LN8 | - | SIA NAG GAL GAL | n/a | n/a |
34 | 4BSD | - | SIA GAL NAG | n/a | n/a |
35 | 4LKK | Kd = 0.33 uM | SIA GAL | n/a | n/a |
36 | 5T6S | - | 75U | C22 H25 Br N2 O3 S | CCOC(=O)c1.... |
37 | 1JSH | - | SIA GAL | n/a | n/a |
38 | 1JSI | - | SIA GAL NAG GAL GLC | n/a | n/a |
39 | 5XL7 | - | SIA GAL NAG | n/a | n/a |
40 | 5XL6 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
41 | 5XLC | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
42 | 5XL3 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
43 | 5XL4 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
44 | 5XLD | - | SIA GAL NAG | n/a | n/a |
45 | 5VTY | - | SIA GAL | n/a | n/a |
46 | 5VTR | - | SIA GAL NAG | n/a | n/a |
47 | 5VTV | - | SIA GAL | n/a | n/a |
48 | 5VU4 | - | SIA GAL | n/a | n/a |
49 | 4WE5 | - | NAG NAG BMA | n/a | n/a |
50 | 6BKQ | - | SIA GAL | n/a | n/a |
51 | 5VTW | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
52 | 6BKT | - | SIA GAL NAG | n/a | n/a |
53 | 6AOS | - | SIA GAL NAG | n/a | n/a |
54 | 6BKS | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
55 | 6AOT | - | SIA GAL | n/a | n/a |
56 | 6AOV | - | SIA GAL NAG GAL NAG | n/a | n/a |
57 | 6BKR | - | SIA GAL NAG | n/a | n/a |
58 | 3EYK | - | EYK | C10 H14 O2 | CC(C)(C)c1.... |
59 | 5VMF | Kd = 0.305 uM | SIA GAL NAG | n/a | n/a |
60 | 5VMC | - | SIA GAL NAG | n/a | n/a |
61 | 5VMG | - | SIA GAL | n/a | n/a |
62 | 4XKF | - | SIA GAL NAG | n/a | n/a |
63 | 5BR6 | - | SIA GAL NAG | n/a | n/a |
64 | 4XKG | - | SIA GAL | n/a | n/a |
65 | 4XKE | - | SIA GAL NAG | n/a | n/a |
66 | 5T0E | - | SIA GAL | n/a | n/a |
67 | 5T0B | - | SIA GAL NAG | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SIA GAL NAG | 1 | 1 |
2 | GAL BGC SIA | 0.752475 | 0.909091 |
3 | NAG SIA GAL | 0.752475 | 0.945455 |
4 | GLA GLC SIA | 0.752475 | 0.909091 |
5 | BGC SIA GAL | 0.752475 | 0.909091 |
6 | SIA GAL BGC | 0.752475 | 0.909091 |
7 | SIA GAL GLC | 0.752475 | 0.909091 |
8 | BGC GAL SIA | 0.752475 | 0.909091 |
9 | SIA GAL NDG SIA | 0.738318 | 1 |
10 | SIA GAL A2G | 0.72549 | 0.945455 |
11 | NGA GAL SIA | 0.72549 | 0.945455 |
12 | SIA GAL NAG GAL | 0.71028 | 0.963636 |
13 | NAG GAL NGC | 0.688073 | 0.945455 |
14 | SIA GAL NGS | 0.684685 | 0.753623 |
15 | GAL SIA NGA GAL SIA | 0.666667 | 0.945455 |
16 | SIA SIA GLA BGC | 0.66087 | 0.928571 |
17 | BGC SIA SIA GAL | 0.66087 | 0.928571 |
18 | SIA GAL NAG SIA | 0.660714 | 0.963636 |
19 | GAL SIA | 0.659794 | 0.909091 |
20 | BGC GAL SIA SIA GAL NGA | 0.65812 | 0.945455 |
21 | BGC GAL SIA NGA GAL SIA | 0.65812 | 0.945455 |
22 | NDG FUC SIA GAL | 0.643478 | 0.945455 |
23 | SIA GAL NDG FUC | 0.643478 | 0.945455 |
24 | NAG FUC SIA GAL | 0.643478 | 0.945455 |
25 | SIA GLA NAG FUC | 0.643478 | 0.945455 |
26 | SIA GAL NAG FUC | 0.643478 | 0.945455 |
27 | FUC NDG GAL SIA | 0.643478 | 0.945455 |
28 | MN0 GAL GLC | 0.642202 | 0.909091 |
29 | SIA GAL | 0.63 | 0.909091 |
30 | SIA GAL MAG FUC | 0.62931 | 0.910714 |
31 | GAL NGA GAL SIA | 0.622807 | 0.963636 |
32 | 4U2 | 0.62037 | 0.927273 |
33 | SLT | 0.62037 | 0.890909 |
34 | SIA 2FG | 0.607843 | 0.847458 |
35 | SIA SIA GAL NGA GAL | 0.604839 | 0.928571 |
36 | BGC GAL SIA NGA GAL | 0.598361 | 0.945455 |
37 | GAL NGA SIA GAL BGC | 0.598361 | 0.945455 |
38 | GAL NGA GAL BGC SIA | 0.598361 | 0.945455 |
39 | SIA GAL BGC NGA GAL | 0.598361 | 0.945455 |
40 | SIA SIA GAL NGA GAL SIA | 0.596774 | 0.928571 |
41 | NGC MBG | 0.596154 | 0.892857 |
42 | SIA NAG GAL | 0.59292 | 1 |
43 | SIA GLA NGS FUC | 0.592 | 0.753623 |
44 | NGC GAL NGA POL AZI | 0.585366 | 0.776119 |
45 | BGC GAL SIA NGA | 0.583333 | 0.945455 |
46 | SIA GAL BGC NGA | 0.583333 | 0.945455 |
47 | GAL BGC SIA NGA | 0.583333 | 0.945455 |
48 | SIA GAL NGA GAL | 0.581197 | 0.945455 |
49 | GAL SIA NGA GAL | 0.581197 | 0.945455 |
50 | SIA 2FG NAG | 0.578947 | 0.881356 |
51 | SIA SIA GAL | 0.576577 | 0.928571 |
52 | SIA GAL NGA | 0.561404 | 0.945455 |
53 | SIA GAL BGC 16C | 0.539568 | 0.887097 |
54 | BGC GAL CEQ SLB NGA GAL SIA SIA | 0.535211 | 0.8 |
55 | BGC 18C GAL SIA | 0.531915 | 0.887097 |
56 | SIA GAL SIA BGC NGA | 0.522388 | 0.928571 |
57 | SIA GAL SIA GLC NGA | 0.522388 | 0.928571 |
58 | NAG GAL SIA | 0.516949 | 0.963636 |
59 | SIA GAL NAG GAL GLC | 0.503817 | 0.963636 |
60 | SIA GAL NAG GAL BGC | 0.503817 | 0.963636 |
61 | BGC GAL NAG SIA GAL | 0.503817 | 0.963636 |
62 | SIA NAG GAL GAL | 0.491935 | 0.963636 |
63 | NAG NAG BMA BMA | 0.490741 | 0.946429 |
64 | NAG BMA | 0.489583 | 0.872727 |
65 | GAL NAG SIA GAL | 0.488189 | 0.963636 |
66 | GAL TNR SIA | 0.488 | 0.964286 |
67 | SIA GAL SIA BGC NGA CEQ | 0.486301 | 0.846154 |
68 | NAG NAG BMA MAN | 0.473214 | 0.945455 |
69 | 4U0 | 0.471074 | 0.909091 |
70 | 4U1 | 0.467213 | 0.945455 |
71 | NAG NDG BMA | 0.457944 | 0.945455 |
72 | NAG NAG BMA | 0.457944 | 0.945455 |
73 | SIA NAG | 0.451327 | 0.964286 |
74 | BGC 18C GAL NGA SIA GAL | 0.447205 | 0.887097 |
75 | NAG NAG | 0.441176 | 0.927273 |
76 | NAG NDG | 0.441176 | 0.927273 |
77 | MNA | 0.434343 | 0.807018 |
78 | SLB SIA | 0.428571 | 0.910714 |
79 | SIA SIA | 0.428571 | 0.910714 |
80 | NAG NAG NAG | 0.425926 | 0.963636 |
81 | NAG NAG NAG NAG | 0.425926 | 0.963636 |
82 | SLB SIA SIA | 0.424779 | 0.910714 |
83 | SIA SIA SIA SIA SIA SIA SIA | 0.424779 | 0.910714 |
84 | SIA SIA SIA | 0.418803 | 0.910714 |
85 | SIA WIA | 0.401709 | 0.881356 |
This union binding pocket(no: 1) in the query (biounit: 5t0b.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2BHZ | MAL | 2.77778 |
2 | 2Q3O | FMN | 3.3033 |
3 | 1JLX | GAL A2G MBN | 3.88889 |
4 | 4M1U | A2G MBG | 5 |
5 | 4OHU | NAD | 5 |
6 | 4OHU | 2TK | 5 |
7 | 4XWM | CBI | 5 |
8 | 3WCA | FPS | 5.55556 |
9 | 3GD4 | NAD | 5.55556 |
10 | 2Q4H | AMP | 6.66667 |
11 | 1FRB | ZST | 7.77778 |
12 | 1OFD | FMN | 8.33333 |
13 | 1OFD | AKG | 8.33333 |
14 | 6ER9 | FAD | 8.33333 |
15 | 1FHW | I5P | 8.52713 |
16 | 6DWI | HD4 | 9.0535 |
17 | 4TWP | AXI | 10 |
18 | 3LMS | GLY | 10.8108 |
19 | 1R37 | NAD | 12.7778 |
20 | 2YOH | WMJ | 16.1905 |
21 | 5A1S | FLC | 16.8168 |
22 | 2BVE | PH5 | 28.5714 |
23 | 5E65 | 5N6 GAL | 44.5783 |
24 | 5E62 | Z3Q GAL 5N6 | 44.9664 |