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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 43 families. | |||||
1 | 2VI0 | - | MGL SGC | n/a | n/a |
2 | 2BVD | Ki = 1 uM | ISX | C12 H23 N O8 | C1[C@@H]([.... |
3 | 2CIP | - | BGC ZZ1 BGC | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 32 families. | |||||
1 | 2VI0 | - | MGL SGC | n/a | n/a |
2 | 2BVD | Ki = 1 uM | ISX | C12 H23 N O8 | C1[C@@H]([.... |
3 | 2CIP | - | BGC ZZ1 BGC | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ISX | 1 | 1 |
2 | 9MR | 0.559322 | 0.97619 |
3 | G2I | 0.530303 | 0.953488 |
4 | G3I | 0.530303 | 0.953488 |
5 | GLC IFM | 0.52459 | 0.953488 |
6 | MAN MAN | 0.5 | 0.761905 |
7 | 7D1 MAN | 0.483333 | 0.767442 |
8 | GLC 7LQ | 0.46875 | 0.72093 |
9 | BGC GLA GAL | 0.465517 | 0.761905 |
10 | BQZ | 0.454545 | 0.731707 |
11 | MAN MNM | 0.453125 | 0.795918 |
12 | LG9 GLC | 0.447761 | 0.722222 |
13 | 3CU GLC | 0.446154 | 0.703704 |
14 | MGL GAL | 0.442623 | 0.727273 |
15 | GDQ GLC | 0.439394 | 0.76 |
16 | BGC OXZ | 0.4375 | 0.833333 |
17 | IFM BGC | 0.4375 | 0.931818 |
18 | GAL GLA | 0.433333 | 0.761905 |
19 | NOY BGC | 0.430769 | 0.795918 |
20 | XYS GLC GLC | 0.430556 | 0.744186 |
21 | MAN BMA BMA BMA BMA BMA BMA | 0.428571 | 0.761905 |
22 | GLC GLC GLC GLC BGC GLC GLC | 0.428571 | 0.761905 |
23 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.428571 | 0.761905 |
24 | BGC OXZ BGC | 0.422535 | 0.816327 |
25 | 5QP | 0.421875 | 0.72093 |
26 | RZM | 0.419355 | 0.826087 |
27 | MBG GLA | 0.416667 | 0.727273 |
28 | GLC EDO GLC | 0.415385 | 0.727273 |
29 | G2F BGC BGC BGC BGC BGC | 0.414286 | 0.680851 |
30 | RR7 GLC | 0.412698 | 0.767442 |
31 | MAN BMA BMA | 0.411765 | 0.727273 |
32 | NOJ GLC | 0.409091 | 0.829787 |
33 | FUC GAL | 0.40625 | 0.72093 |
34 | BGC XGP | 0.402985 | 0.627451 |
35 | DGO MAN | 0.4 | 0.744186 |
36 | BGC BGC BGC BGC BGC | 0.4 | 0.761905 |
37 | BGC BGC BGC | 0.4 | 0.761905 |
38 | GLC BGC BGC BGC | 0.4 | 0.761905 |
39 | BGC BGC BGC BGC BGC BGC BGC | 0.4 | 0.761905 |
40 | BGC BGC BGC BGC BGC BGC | 0.4 | 0.761905 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BGC BGC | 0.9657 |
2 | GLC BGC | 0.9333 |
3 | GCU BGC | 0.9297 |
4 | XIL | 0.9214 |
5 | XYP XYP | 0.9177 |
6 | XYS AZI XYS | 0.9163 |
7 | XYP XDN | 0.9158 |
8 | XDN XYP | 0.9158 |
9 | SHG BGC | 0.9135 |
10 | 6GR | 0.9134 |
11 | XDL XYP | 0.9123 |
12 | ABL | 0.9112 |
13 | LU2 | 0.9108 |
14 | NOJ BGC | 0.9098 |
15 | GLC GLC | 0.9090 |
16 | GLC GAL | 0.9080 |
17 | BMA BGC | 0.9077 |
18 | Z15 | 0.9073 |
19 | BZC | 0.9072 |
20 | 38E | 0.9064 |
21 | LAM | 0.9037 |
22 | Z57 | 0.9036 |
23 | SGC BGC | 0.9034 |
24 | TCW | 0.9033 |
25 | 6J3 | 0.9032 |
26 | 3WJ | 0.9031 |
27 | 2QV | 0.9029 |
28 | DKX | 0.9025 |
29 | PA1 GCS | 0.9024 |
30 | JRE | 0.9023 |
31 | XYS XYP | 0.9009 |
32 | IMK | 0.9000 |
33 | 697 | 0.8999 |
34 | EZB | 0.8994 |
35 | GCS GCS | 0.8990 |
36 | DS8 | 0.8987 |
37 | TH1 | 0.8981 |
38 | B2L | 0.8978 |
39 | XYP XIM | 0.8971 |
40 | BGC GAL | 0.8970 |
41 | P2L | 0.8970 |
42 | CJB | 0.8967 |
43 | DKZ | 0.8967 |
44 | 338 | 0.8967 |
45 | SA0 | 0.8966 |
46 | IFM BMA | 0.8966 |
47 | AGI | 0.8962 |
48 | XYS XYS | 0.8957 |
49 | GAT | 0.8955 |
50 | NAR | 0.8955 |
51 | 6BK | 0.8951 |
52 | DSQ | 0.8950 |
53 | GPK | 0.8948 |
54 | BNY | 0.8938 |
55 | ZJB | 0.8936 |
56 | 5P7 | 0.8935 |
57 | GPU | 0.8933 |
58 | 2QU | 0.8924 |
59 | ADN | 0.8922 |
60 | ID8 | 0.8919 |
61 | IW1 | 0.8916 |
62 | 7VF | 0.8916 |
63 | DK4 | 0.8915 |
64 | IXM | 0.8911 |
65 | TLF | 0.8895 |
66 | 1HP | 0.8893 |
67 | SGW | 0.8889 |
68 | CJZ | 0.8880 |
69 | BXZ | 0.8879 |
70 | M08 | 0.8872 |
71 | MBG GAL | 0.8866 |
72 | IDD | 0.8866 |
73 | 581 | 0.8859 |
74 | FHI | 0.8856 |
75 | U14 | 0.8855 |
76 | LI4 | 0.8851 |
77 | T98 | 0.8849 |
78 | 53X | 0.8845 |
79 | 1FL | 0.8844 |
80 | NE1 | 0.8842 |
81 | FRU GAL | 0.8841 |
82 | 6EN | 0.8838 |
83 | XTS | 0.8836 |
84 | BMA BMA | 0.8834 |
85 | 3WK | 0.8834 |
86 | 57D | 0.8831 |
87 | 5N5 | 0.8826 |
88 | JNW | 0.8826 |
89 | BRY | 0.8822 |
90 | 3WN | 0.8822 |
91 | 3WO | 0.8822 |
92 | BGC Z9D | 0.8806 |
93 | GPQ | 0.8803 |
94 | XIF XYP | 0.8803 |
95 | DTK | 0.8801 |
96 | 3WL | 0.8799 |
97 | 272 | 0.8799 |
98 | FLF | 0.8796 |
99 | YIO GAL | 0.8795 |
100 | E9L | 0.8793 |
101 | XYP XIF | 0.8792 |
102 | 4GU | 0.8788 |
103 | 8WB | 0.8787 |
104 | 5NN | 0.8781 |
105 | 3GX | 0.8781 |
106 | 5E4 | 0.8780 |
107 | MHB | 0.8780 |
108 | NAB | 0.8778 |
109 | IDC | 0.8777 |
110 | AJ4 | 0.8774 |
111 | BMA GAL | 0.8774 |
112 | NFL | 0.8772 |
113 | AVX | 0.8769 |
114 | 5WW | 0.8766 |
115 | CDJ | 0.8764 |
116 | HO4 | 0.8757 |
117 | 4L2 | 0.8754 |
118 | PCQ | 0.8754 |
119 | GLA BEZ | 0.8752 |
120 | GLO BGC | 0.8752 |
121 | LM7 | 0.8750 |
122 | GAL FUC | 0.8749 |
123 | MMA XYP | 0.8745 |
124 | INI | 0.8727 |
125 | 1V8 | 0.8727 |
126 | NW1 | 0.8721 |
127 | 2UV | 0.8721 |
128 | MQS | 0.8720 |
129 | MAN BMA | 0.8720 |
130 | MGL SGC | 0.8717 |
131 | 7FZ | 0.8717 |
132 | H32 | 0.8715 |
133 | VT3 | 0.8713 |
134 | BJ4 | 0.8705 |
135 | 9CE | 0.8699 |
136 | Z2T | 0.8691 |
137 | 5DN | 0.8688 |
138 | U98 | 0.8685 |
139 | CMG | 0.8685 |
140 | 4K2 | 0.8681 |
141 | 5E1 | 0.8679 |
142 | 40W | 0.8679 |
143 | 6T5 | 0.8677 |
144 | MHD GAL | 0.8676 |
145 | BMA IFM | 0.8675 |
146 | DTQ | 0.8671 |
147 | 7GP | 0.8668 |
148 | T21 | 0.8667 |
149 | JO8 | 0.8657 |
150 | MTA | 0.8654 |
151 | LOX XYP | 0.8652 |
152 | 88X | 0.8652 |
153 | GAA | 0.8652 |
154 | DL6 | 0.8651 |
155 | S13 | 0.8649 |
156 | U12 | 0.8646 |
157 | B06 | 0.8642 |
158 | 6XC | 0.8636 |
159 | 145 | 0.8636 |
160 | ARJ | 0.8635 |
161 | 5NB | 0.8634 |
162 | NBZ GLA | 0.8631 |
163 | 5FD | 0.8630 |
164 | KS5 | 0.8624 |
165 | 5E2 | 0.8621 |
166 | Z16 | 0.8620 |
167 | I0D | 0.8620 |
168 | NOC | 0.8617 |
169 | 6MD | 0.8612 |
170 | A73 | 0.8611 |
171 | U19 | 0.8600 |
172 | 5CD | 0.8592 |
173 | DMB | 0.8582 |
174 | 1V1 | 0.8581 |
175 | 20D | 0.8581 |
176 | 0DF | 0.8575 |
177 | J43 | 0.8575 |
178 | 1Q4 | 0.8571 |
179 | GVI | 0.8570 |
180 | 7L4 | 0.8554 |
181 | BHG | 0.8553 |
182 | WCU | 0.8545 |
183 | BBY | 0.8540 |
184 | GAL NGT | 0.8529 |
185 | NGT GAL | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 2bvd.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |