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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 32 families. | |||||
1 | 1IA7 | - | BGC BGC | n/a | n/a |
2 | 1JS4 | - | BGC BGC | n/a | n/a |
3 | 4TF4 | - | GLC BGC BGC BGC | n/a | n/a |
4 | 3TF4 | - | BGC BGC BGC | n/a | n/a |
5 | 4DOE | - | BGC BGC BGC | n/a | n/a |
6 | 1KFG | - | GS1 SGC BGC SGC | n/a | n/a |
7 | 1GA2 | - | BGC BGC | n/a | n/a |
8 | 1K72 | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLC BGC BGC BGC | 1 | 1 |
2 | BGC BGC BGC BGC BGC BGC | 1 | 1 |
3 | BGC BGC BGC BGC BGC BGC BGC | 1 | 1 |
4 | BGC BGC BGC BGC BGC | 1 | 1 |
5 | BGC BGC BGC | 1 | 1 |
6 | GAL GLA | 0.888889 | 1 |
7 | BGC BGC BGC BGC | 0.762712 | 1 |
8 | MAN MAN M6P | 0.716667 | 0.785714 |
9 | BGC GAL GLA | 0.709091 | 1 |
10 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.689655 | 1 |
11 | GAL NAG GAL NAG GAL | 0.647059 | 0.6875 |
12 | MBG GAL | 0.641509 | 0.942857 |
13 | BMA MAN MAN | 0.627119 | 1 |
14 | MAN MAN MAN GLC | 0.622951 | 1 |
15 | GAL SO4 GAL | 0.606557 | 0.66 |
16 | BQZ | 0.58 | 0.909091 |
17 | NAG GAL GAL | 0.575758 | 0.733333 |
18 | GAL NAG GAL | 0.573529 | 0.733333 |
19 | GCU BGC | 0.55 | 0.914286 |
20 | MAN MAN MAN | 0.536232 | 0.970588 |
21 | MAN BMA BMA BMA BMA BMA BMA | 0.534483 | 1 |
22 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.534483 | 1 |
23 | GLC GLC GLC GLC BGC GLC GLC | 0.534483 | 1 |
24 | AHR FUB | 0.529412 | 0.857143 |
25 | BMA MAN NAG | 0.521127 | 0.733333 |
26 | BGC GAL NAG GAL | 0.520548 | 0.733333 |
27 | GAL NAG FUC GAL | 0.513158 | 0.717391 |
28 | BGC GAL GLA NGA GAL | 0.513158 | 0.733333 |
29 | FUC GAL | 0.508475 | 0.941176 |
30 | BGC GLA GAL | 0.5 | 1 |
31 | GAL AAL GAL AAL GAL AAL | 0.493333 | 0.891892 |
32 | NAG GAL NAG GAL NAG GAL | 0.493333 | 0.673469 |
33 | NAG GAL NAG GAL | 0.493333 | 0.6875 |
34 | GAL AAL GAL AAL | 0.493333 | 0.891892 |
35 | GAL NGA A2G | 0.485714 | 0.6875 |
36 | BGC FUC GAL | 0.484848 | 0.970588 |
37 | GLC BGC FUC GAL | 0.484848 | 0.970588 |
38 | MMA MAN MAN | 0.484848 | 0.942857 |
39 | MAN BMA BMA | 0.484375 | 0.942857 |
40 | A2G GAL | 0.484375 | 0.733333 |
41 | BGC GAL GLA NGA | 0.480519 | 0.733333 |
42 | MGL GAL | 0.474576 | 0.942857 |
43 | MBG GLA | 0.473684 | 0.942857 |
44 | BGC GAL NAG | 0.472973 | 0.733333 |
45 | BGC FUC GAL NAG GAL | 0.470588 | 0.717391 |
46 | GAL FUC GAL | 0.469697 | 0.970588 |
47 | 47N | 0.46875 | 0.891892 |
48 | GAL AAL | 0.46875 | 0.891892 |
49 | MAN MAN MAN MAN MAN MAN MAN | 0.467532 | 1 |
50 | RR7 GLC | 0.466667 | 0.942857 |
51 | NAG NAG BMA MAN | 0.463415 | 0.634615 |
52 | G2F SHG BGC BGC | 0.461538 | 0.891892 |
53 | NOY BGC | 0.460317 | 0.702128 |
54 | MAN MAN | 0.457627 | 0.941176 |
55 | GLA NAG GAL FUC | 0.455696 | 0.717391 |
56 | RAM MAN GLA ABE RAM MAN GLA ABE | 0.454545 | 0.868421 |
57 | MAN MAN MAN MAN MAN MAN MAN MAN | 0.452381 | 0.846154 |
58 | OPM MAN MAN | 0.452055 | 0.804878 |
59 | 5QP | 0.451613 | 0.885714 |
60 | BGC FUC GAL NAG | 0.451219 | 0.717391 |
61 | RZM | 0.45 | 0.688889 |
62 | BGC OXZ | 0.444444 | 0.666667 |
63 | IFM BGC | 0.444444 | 0.711111 |
64 | MAN GLA ABE | 0.444444 | 0.916667 |
65 | 9MR | 0.444444 | 0.744186 |
66 | GLC EDO GLC | 0.444444 | 0.942857 |
67 | 7D1 MAN | 0.442623 | 0.888889 |
68 | G2F BGC BGC BGC BGC BGC | 0.441176 | 0.868421 |
69 | MAN MAN BMA | 0.441176 | 0.942857 |
70 | MGC GAL | 0.439394 | 0.702128 |
71 | NAG GAL | 0.439394 | 0.733333 |
72 | NOJ GLC | 0.4375 | 0.695652 |
73 | GLC DMJ | 0.4375 | 0.695652 |
74 | MAN MNM | 0.4375 | 0.702128 |
75 | NAG GAL NAG | 0.434211 | 0.6875 |
76 | BGC GAL NGA GAL | 0.434211 | 0.733333 |
77 | BGC XGP | 0.430769 | 0.785714 |
78 | CJX | 0.430769 | 0.717391 |
79 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.430556 | 1 |
80 | BMA BMA BMA BMA GLA | 0.430556 | 1 |
81 | FRU BMA | 0.428571 | 0.842105 |
82 | MAN IPD MAN | 0.428571 | 0.785714 |
83 | RAM MAN GLA ABE RAM MAN GLA | 0.425532 | 0.868421 |
84 | BGC ZZ1 BGC | 0.425 | 0.767442 |
85 | GDQ GLC | 0.424242 | 0.666667 |
86 | MAN G63 | 0.424242 | 0.653061 |
87 | IPD MAN | 0.421875 | 0.738095 |
88 | BGC GAL FUC GLA | 0.421053 | 0.970588 |
89 | NAG BMA | 0.42029 | 0.653061 |
90 | BGC GLC GLC | 0.42029 | 1 |
91 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.418605 | 0.6875 |
92 | NAG BMA MAN MAN MAN MAN | 0.418605 | 0.733333 |
93 | BGC 5VQ GAL GLA | 0.41791 | 0.891892 |
94 | GLC GAL NAG GAL FUC GLA | 0.417582 | 0.717391 |
95 | GAL NAG GAL FUC FUC | 0.416667 | 0.702128 |
96 | BGC GLC GLC GLC | 0.416667 | 1 |
97 | GLC GLC GLC GLC GLC | 0.416667 | 1 |
98 | NAG BMA MAN MAN MAN MAN MAN | 0.4125 | 0.868421 |
99 | GLC BGC BGC | 0.410959 | 0.942857 |
100 | BMA MAN MAN MAN MAN | 0.410256 | 0.942857 |
101 | ABL | 0.409091 | 0.702128 |
102 | BGC GAL NAG GAL FUC | 0.409091 | 0.717391 |
103 | G3I | 0.408451 | 0.767442 |
104 | G2I | 0.408451 | 0.767442 |
105 | BGC OXZ BGC | 0.408451 | 0.6875 |
106 | GLC | 0.408163 | 0.848485 |
107 | GLA | 0.408163 | 0.848485 |
108 | BGC | 0.408163 | 0.848485 |
109 | MAN | 0.408163 | 0.848485 |
110 | BMA | 0.408163 | 0.848485 |
111 | GAL | 0.408163 | 0.848485 |
112 | ALL | 0.408163 | 0.848485 |
113 | GXL | 0.408163 | 0.848485 |
114 | GLC GLC | 0.408163 | 0.848485 |
115 | BGC GAL | 0.408163 | 0.848485 |
116 | GIV | 0.408163 | 0.848485 |
117 | GAL GAL | 0.408163 | 0.848485 |
118 | WOO | 0.408163 | 0.848485 |
119 | BGC BGC XYS GAL | 0.407895 | 0.942857 |
120 | GLC U8V | 0.40625 | 0.916667 |
121 | DGO MAN | 0.40625 | 0.914286 |
122 | MMA GLA ABE | 0.405405 | 0.868421 |
123 | BGC BGC BGC XYS BGC XYS | 0.405063 | 0.942857 |
124 | MAN BMA MAN MAN MAN MAN MAN | 0.404762 | 0.942857 |
125 | BGC GAL NAG NAG GAL GAL | 0.404494 | 0.6875 |
126 | NAG NAG MAN MAN MAN | 0.404494 | 0.6875 |
127 | 3MG | 0.403846 | 0.857143 |
128 | ZB1 | 0.403846 | 0.857143 |
129 | GPM GLC | 0.402985 | 0.767442 |
130 | GLC GLC GLC | 0.402778 | 0.942857 |
131 | SOR GLC GLC | 0.402778 | 0.970588 |
132 | GLC NBU GAL GLA | 0.4 | 0.846154 |
133 | 2M8 | 0.4 | 0.911765 |
134 | ISX | 0.4 | 0.761905 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GCS GCS GCS | 0.9773 |
2 | GLC SHD Z6H | 0.9547 |
3 | BMA BMA BGC | 0.9426 |
4 | GTM BGC BGC | 0.9398 |
5 | SGC SGC BGC | 0.9320 |
6 | BMA BMA BMA | 0.9306 |
7 | GS1 GLC GS1 | 0.9182 |
8 | GS1 GS1 BGC | 0.9103 |
9 | GAL GAL GAL | 0.9033 |
10 | GCU MAV MAW | 0.8932 |
11 | XYP XYP XYP | 0.8869 |
12 | XYS XYP XYP | 0.8703 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC BGC | 1.0000 |
2 | GLC GLC | 0.9998 |
3 | BGC BGC | 0.9986 |
4 | BGC GLC | 0.9911 |
5 | PA1 GCS | 0.9868 |
6 | SHG BGC | 0.9861 |
7 | ABL | 0.9815 |
8 | NOJ GLC | 0.9792 |
9 | NOY BGC | 0.9717 |
10 | GLC GAL | 0.9708 |
11 | GCS GCS | 0.9690 |
12 | GLF B8D | 0.9632 |
13 | BGC GLA | 0.9606 |
14 | BGC GAL | 0.9596 |
15 | BMA BGC | 0.9584 |
16 | BGC Z9D | 0.9568 |
17 | GLC GLA | 0.9522 |
18 | BGC OXZ | 0.9520 |
19 | SGC BGC | 0.9514 |
20 | TW7 GLC | 0.9510 |
21 | 9MR | 0.9504 |
22 | IFM BGC | 0.9445 |
23 | GCU BGC | 0.9440 |
24 | BMA BMA | 0.9437 |
25 | NOJ BGC | 0.9391 |
26 | IFM BMA | 0.9375 |
27 | IDC | 0.9364 |
28 | BMA GAL | 0.9356 |
29 | MGL GAL | 0.9356 |
30 | BMA GLA | 0.9348 |
31 | ISX | 0.9333 |
32 | BMA MAN | 0.9300 |
33 | RR7 GLC | 0.9279 |
34 | IFM MAN | 0.9235 |
35 | LAM | 0.9219 |
36 | NGT GAL | 0.9214 |
37 | GAL NGT | 0.9214 |
38 | MAN BMA | 0.9187 |
39 | FRU GLC | 0.9174 |
40 | RZM | 0.9169 |
41 | U2A BGC | 0.9156 |
42 | BDF GLC | 0.9145 |
43 | FRU GAL | 0.9142 |
44 | DMJ MAN | 0.9116 |
45 | GLA GAL | 0.9096 |
46 | BEM BEM | 0.9079 |
47 | GAL BGC | 0.9075 |
48 | BEM LGU | 0.9067 |
49 | GAL NOK | 0.9064 |
50 | NOK GAL | 0.9064 |
51 | GLC IFM | 0.9051 |
52 | MA1 GLC | 0.9048 |
53 | GLC 7LQ | 0.9047 |
54 | MYG | 0.9042 |
55 | GDQ GLC | 0.9035 |
56 | MAV BEM | 0.9007 |
57 | D2M | 0.9003 |
58 | XMM | 0.9003 |
59 | GLO BGC | 0.8972 |
60 | DGO Z61 | 0.8961 |
61 | DGO MAN | 0.8948 |
62 | PNJ | 0.8942 |
63 | MMA MAN | 0.8942 |
64 | 7K2 | 0.8934 |
65 | MVL BMA | 0.8926 |
66 | GLC DMJ | 0.8920 |
67 | VDM | 0.8915 |
68 | GS1 GS1 | 0.8911 |
69 | XYP GCU | 0.8910 |
70 | XYP XYP | 0.8904 |
71 | 145 | 0.8894 |
72 | C3G | 0.8892 |
73 | 7D1 MAN | 0.8883 |
74 | NDG GAL | 0.8879 |
75 | BQZ | 0.8866 |
76 | MMA XYP | 0.8866 |
77 | MAN GLC | 0.8860 |
78 | FUC GAL | 0.8856 |
79 | NAG GAL | 0.8850 |
80 | XYS XYP | 0.8847 |
81 | MAN IFM | 0.8842 |
82 | AFX | 0.8825 |
83 | NAB | 0.8823 |
84 | VXM | 0.8810 |
85 | 6GR | 0.8808 |
86 | DS8 | 0.8806 |
87 | K3Q 7CV | 0.8805 |
88 | BMA MVL | 0.8798 |
89 | 64I | 0.8796 |
90 | IW1 | 0.8791 |
91 | PNA | 0.8788 |
92 | MXA | 0.8783 |
93 | EZB | 0.8770 |
94 | MA3 MA2 | 0.8767 |
95 | 7WD | 0.8758 |
96 | Z15 | 0.8757 |
97 | DMB | 0.8747 |
98 | TOP | 0.8742 |
99 | Y3J | 0.8739 |
100 | XYP XDN | 0.8736 |
101 | 581 | 0.8731 |
102 | GAL FUC | 0.8723 |
103 | LG7 | 0.8723 |
104 | XIL | 0.8720 |
105 | GAL GAL | 0.8718 |
106 | GAL PHB | 0.8717 |
107 | XDN XYP | 0.8715 |
108 | XYS XYS | 0.8701 |
109 | HO4 | 0.8697 |
110 | XDL XYP | 0.8692 |
111 | 4WS GAL | 0.8688 |
112 | 38E | 0.8680 |
113 | ZT2 | 0.8679 |
114 | ADN | 0.8672 |
115 | 1FL | 0.8670 |
116 | ZJB | 0.8667 |
117 | MG7 | 0.8661 |
118 | YIO GAL | 0.8660 |
119 | INI | 0.8655 |
120 | VXP | 0.8653 |
121 | XYP XYS | 0.8652 |
122 | LM7 | 0.8650 |
123 | FHI | 0.8645 |
124 | Z4Y MAN | 0.8644 |
125 | 5N5 | 0.8639 |
126 | 683 | 0.8637 |
127 | XYP XIM | 0.8637 |
128 | 636 | 0.8634 |
129 | GLA BEZ | 0.8633 |
130 | MHB | 0.8630 |
131 | 5FD | 0.8626 |
132 | T5J | 0.8619 |
133 | QRP | 0.8616 |
134 | 5CD | 0.8612 |
135 | QUE | 0.8607 |
136 | TYP | 0.8607 |
137 | LVY | 0.8602 |
138 | 147 | 0.8601 |
139 | GWD | 0.8589 |
140 | 6WL | 0.8586 |
141 | CC6 | 0.8583 |
142 | 4GU | 0.8579 |
143 | 2QU | 0.8578 |
144 | KTM | 0.8577 |
145 | 6J3 | 0.8575 |
146 | RPP | 0.8575 |
147 | UX0 | 0.8572 |
148 | 041 | 0.8571 |
149 | 2QV | 0.8564 |
150 | 36K | 0.8558 |
151 | 17C | 0.8556 |
152 | 5P7 | 0.8550 |
153 | 8WB | 0.8548 |
154 | NBZ GLA | 0.8548 |
155 | 5ID | 0.8545 |
156 | TTZ | 0.8542 |
This union binding pocket(no: 1) in the query (biounit: 4doe.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4doe.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |