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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 17 families. | |||||
1 | 4AU0 | - | BGC XZZ BGC | n/a | n/a |
2 | 1HGY | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
3 | 1QK2 | - | MGL SGC GLC GLC | n/a | n/a |
4 | 4AX7 | - | BGC 4MU BGC | n/a | n/a |
5 | 1QK0 | - | XYP IOB BGC | n/a | n/a |
6 | 4AX6 | - | BGC UWU BGC | n/a | n/a |
7 | 1QJW | - | MGL SGC GLC GLC | n/a | n/a |
8 | 1OCB | - | GTM BGC BGC | n/a | n/a |
9 | 2BVW | - | BGC BGC BGC BGC | n/a | n/a |
10 | 1OCJ | - | MA3 SGC SSG SSG BGC | n/a | n/a |
11 | 1OC5 | - | MGL SGC BGC BGC | n/a | n/a |
12 | 1GZ1 | - | MGL SGC BGC BGC | n/a | n/a |
13 | 1OC7 | - | MA3 | C7 H14 O5 S | CO[C@@H]1[.... |
14 | 1OCN | - | IFM BGC | n/a | n/a |
15 | 4A05 | - | BGC BGC | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 11 families. | |||||
1 | 3A9B | - | BGC BGC | n/a | n/a |
2 | 3ABX | - | RCB | C24 H35 N O18 | c1cc(ccc1[.... |
3 | 4AU0 | - | BGC XZZ BGC | n/a | n/a |
4 | 1HGY | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
5 | 1QK2 | - | MGL SGC GLC GLC | n/a | n/a |
6 | 4AX7 | - | BGC 4MU BGC | n/a | n/a |
7 | 1QK0 | - | XYP IOB BGC | n/a | n/a |
8 | 4AX6 | - | BGC UWU BGC | n/a | n/a |
9 | 1QJW | - | MGL SGC GLC GLC | n/a | n/a |
10 | 3VOI | - | RCB | C24 H35 N O18 | c1cc(ccc1[.... |
11 | 3VOH | - | BGC BGC | n/a | n/a |
12 | 1OCB | - | GTM BGC BGC | n/a | n/a |
13 | 2BVW | - | BGC BGC BGC BGC | n/a | n/a |
14 | 1OCJ | - | MA3 SGC SSG SSG BGC | n/a | n/a |
15 | 1OC5 | - | MGL SGC BGC BGC | n/a | n/a |
16 | 1GZ1 | - | MGL SGC BGC BGC | n/a | n/a |
17 | 1OC7 | - | MA3 | C7 H14 O5 S | CO[C@@H]1[.... |
18 | 1OCN | - | IFM BGC | n/a | n/a |
19 | 5XCZ | - | GLC BGC | n/a | n/a |
20 | 4A05 | - | BGC BGC | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | IFM BGC | 1 | 1 |
2 | 9MR | 0.559322 | 0.954545 |
3 | GLC DMJ | 0.55 | 0.893617 |
4 | NOY BGC | 0.55 | 0.82 |
5 | GLC IFM | 0.55 | 0.977273 |
6 | NOJ GLC | 0.52459 | 0.893617 |
7 | MAN MNM | 0.52459 | 0.82 |
8 | IFM MAN | 0.516129 | 1 |
9 | BQZ | 0.509434 | 0.681818 |
10 | 5QP | 0.491803 | 0.711111 |
11 | MBG GLA | 0.491228 | 0.680851 |
12 | G2I | 0.485294 | 0.933333 |
13 | G3I | 0.485294 | 0.933333 |
14 | GDQ GLC | 0.484375 | 0.82 |
15 | RR7 GLC | 0.483333 | 0.755556 |
16 | GAL GLA | 0.482759 | 0.711111 |
17 | RZM | 0.466667 | 0.8125 |
18 | MGL GAL | 0.466667 | 0.680851 |
19 | MBG GAL | 0.466667 | 0.680851 |
20 | BGC GLA GAL | 0.465517 | 0.711111 |
21 | MAN G63 | 0.461538 | 0.84 |
22 | BGC OXZ | 0.460317 | 0.82 |
23 | MAN BMA BMA | 0.454545 | 0.717391 |
24 | FUC GAL | 0.451613 | 0.673913 |
25 | MAN MAN | 0.45 | 0.711111 |
26 | GLC 7LQ | 0.446154 | 0.673913 |
27 | BGC BGC BGC BGC BGC | 0.444444 | 0.711111 |
28 | GLC BGC BGC BGC | 0.444444 | 0.711111 |
29 | BGC BGC BGC BGC BGC BGC BGC | 0.444444 | 0.711111 |
30 | BGC BGC BGC BGC BGC BGC | 0.444444 | 0.711111 |
31 | BGC BGC BGC | 0.444444 | 0.711111 |
32 | ISX | 0.4375 | 0.931818 |
33 | 7D1 MAN | 0.435484 | 0.717391 |
34 | MAN MAN BMA | 0.434783 | 0.717391 |
35 | A2G GAL | 0.432836 | 0.711538 |
36 | NOK GAL | 0.430556 | 0.75 |
37 | GLC GLC GLC GLC BGC GLC GLC | 0.428571 | 0.711111 |
38 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.428571 | 0.711111 |
39 | MAN BMA BMA BMA BMA BMA BMA | 0.428571 | 0.711111 |
40 | GCU BGC | 0.424242 | 0.695652 |
41 | CJX | 0.424242 | 0.8 |
42 | ABL | 0.424242 | 0.75 |
43 | FRU BMA | 0.421875 | 0.6875 |
44 | MAN IPD MAN | 0.421875 | 0.622642 |
45 | GLC EDO GLC | 0.415385 | 0.717391 |
46 | AMG | 0.415094 | 0.652174 |
47 | GYP | 0.415094 | 0.652174 |
48 | MBG | 0.415094 | 0.652174 |
49 | MMA | 0.415094 | 0.652174 |
50 | G2F BGC BGC BGC BGC BGC | 0.414286 | 0.64 |
51 | NAG BMA | 0.414286 | 0.703704 |
52 | MGC GAL | 0.411765 | 0.685185 |
53 | AHR FUB | 0.410714 | 0.617021 |
54 | BMA MAN MAN | 0.405797 | 0.711111 |
55 | BGC XGP | 0.402985 | 0.622642 |
56 | BGC OXZ BGC | 0.402778 | 0.803922 |
57 | MMA GLA ABE | 0.4 | 0.673469 |
58 | DGO MAN | 0.4 | 0.695652 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BMA BGC | 0.9610 |
2 | IFM BMA | 0.9596 |
3 | BMA IFM | 0.9596 |
4 | BGC BGC | 0.9583 |
5 | SHG BGC | 0.9537 |
6 | GCS GCS | 0.9523 |
7 | SA0 | 0.9521 |
8 | PA1 GCS | 0.9516 |
9 | GLC BGC | 0.9445 |
10 | BMA BMA | 0.9443 |
11 | BGC GAL | 0.9435 |
12 | BGC Z9D | 0.9423 |
13 | GLC GAL | 0.9339 |
14 | BMA GAL | 0.9318 |
15 | MAN BMA | 0.9300 |
16 | GLC GLC | 0.9298 |
17 | MGL SGC | 0.9266 |
18 | 145 | 0.9239 |
19 | SGC BGC | 0.9124 |
20 | BEM BEM | 0.9058 |
21 | GL6 | 0.9030 |
22 | XTS | 0.9015 |
23 | 636 | 0.9009 |
24 | 64I | 0.9000 |
25 | CJZ | 0.8998 |
26 | 6GR | 0.8963 |
27 | 6EN | 0.8932 |
28 | FRU GAL | 0.8931 |
29 | IDC | 0.8918 |
30 | GMP | 0.8895 |
31 | MYG | 0.8884 |
32 | 6J3 | 0.8876 |
33 | BRY | 0.8876 |
34 | Z15 | 0.8864 |
35 | 1FL | 0.8864 |
36 | FHI | 0.8863 |
37 | ID8 | 0.8860 |
38 | IA2 | 0.8860 |
39 | XIL | 0.8856 |
40 | XDL XYP | 0.8855 |
41 | BEM LGU | 0.8854 |
42 | XYP XYP | 0.8850 |
43 | Z16 | 0.8847 |
44 | MG7 | 0.8845 |
45 | XYP AHR | 0.8845 |
46 | XYP XDN | 0.8839 |
47 | XDN XYP | 0.8838 |
48 | GN6 | 0.8833 |
49 | EAJ | 0.8831 |
50 | U19 | 0.8825 |
51 | 38E | 0.8821 |
52 | 3WJ | 0.8816 |
53 | XIF XYP | 0.8816 |
54 | XYP XIF | 0.8816 |
55 | NAG GAL | 0.8815 |
56 | NAB | 0.8814 |
57 | 5P3 | 0.8812 |
58 | ADN | 0.8805 |
59 | 581 | 0.8802 |
60 | NTF | 0.8802 |
61 | GRI | 0.8797 |
62 | OFL | 0.8796 |
63 | GAL NGT | 0.8794 |
64 | 7A9 | 0.8789 |
65 | GLO BGC | 0.8789 |
66 | 4GU | 0.8788 |
67 | 683 | 0.8784 |
68 | BGC GLC | 0.8776 |
69 | NAG GCD | 0.8770 |
70 | T28 | 0.8770 |
71 | TLF | 0.8768 |
72 | GAL NOK | 0.8766 |
73 | 3DT | 0.8760 |
74 | MHD GAL | 0.8758 |
75 | CZ0 | 0.8754 |
76 | 272 | 0.8751 |
77 | NGT GAL | 0.8745 |
78 | A4G | 0.8744 |
79 | GAT | 0.8736 |
80 | 7NU | 0.8735 |
81 | MAV BEM | 0.8732 |
82 | 9CE | 0.8728 |
83 | IXM | 0.8726 |
84 | BXZ | 0.8725 |
85 | ZJB | 0.8723 |
86 | EZB | 0.8723 |
87 | 56N | 0.8718 |
88 | LI4 | 0.8717 |
89 | 17C | 0.8710 |
90 | 5AD | 0.8710 |
91 | TI7 | 0.8709 |
92 | AD3 | 0.8707 |
93 | Q11 | 0.8698 |
94 | XYS XYP | 0.8691 |
95 | 5N5 | 0.8691 |
96 | BNY | 0.8689 |
97 | 5I5 | 0.8685 |
98 | 43S | 0.8683 |
99 | AUV | 0.8679 |
100 | XYS XYS | 0.8675 |
101 | NOM | 0.8668 |
102 | PCQ | 0.8666 |
103 | TXQ | 0.8663 |
104 | NOS | 0.8661 |
105 | K3Q 7CV | 0.8656 |
106 | WVV | 0.8649 |
107 | CFE | 0.8647 |
108 | 2FA | 0.8644 |
109 | AOD | 0.8644 |
110 | 2AN | 0.8640 |
111 | HMD | 0.8639 |
112 | BDF GLC | 0.8637 |
113 | 9FN | 0.8637 |
114 | TO1 | 0.8631 |
115 | M3W | 0.8628 |
116 | THM | 0.8624 |
117 | JRO | 0.8615 |
118 | SGV | 0.8611 |
119 | 3RP | 0.8610 |
120 | P2C | 0.8601 |
121 | MQS | 0.8601 |
122 | HO4 | 0.8595 |
123 | 47N | 0.8587 |
124 | VDM | 0.8585 |
125 | NEO | 0.8580 |
126 | MVL BMA | 0.8577 |
127 | GAL GAL | 0.8575 |
128 | BJ4 | 0.8565 |
129 | TGW | 0.8565 |
130 | FTU | 0.8563 |
131 | LGU MAW | 0.8562 |
132 | LG7 | 0.8561 |
133 | 2QU | 0.8560 |
134 | NFG | 0.8558 |
135 | IMB | 0.8556 |
136 | SGW | 0.8553 |
137 | ZSP | 0.8541 |
138 | GLA GLA | 0.8540 |
139 | DBQ | 0.8539 |
140 | EKH | 0.8538 |
141 | 7CI | 0.8532 |
142 | VT3 | 0.8531 |
143 | RFZ | 0.8527 |
This union binding pocket(no: 1) in the query (biounit: 1oc7.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |