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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3DUV | - | KDO | C8 H14 O8 | C1[C@H]([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3DUV | - | KDO | C8 H14 O8 | C1[C@H]([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | KDO | 1 | 1 |
2 | KDN | 0.64 | 0.96875 |
3 | KDM | 0.64 | 0.96875 |
4 | KDE | 0.467742 | 0.864865 |
5 | SLB | 0.435484 | 0.704545 |
6 | SIA | 0.435484 | 0.704545 |
7 | KDF | 0.428571 | 0.833333 |
8 | KDO KDO KDO | 0.422535 | 0.8 |
9 | NGE | 0.421875 | 0.688889 |
10 | NGC | 0.421875 | 0.688889 |
11 | 42D | 0.409091 | 0.645833 |
12 | 18D | 0.409091 | 0.673913 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | XH2 | 0.9235 |
2 | DNC | 0.9141 |
3 | HLD | 0.9134 |
4 | 5ZZ | 0.9126 |
5 | SBI | 0.9049 |
6 | TSA | 0.9039 |
7 | AMG | 0.9032 |
8 | CRB | 0.9020 |
9 | 0GY | 0.9018 |
10 | 0GZ | 0.9017 |
11 | 5UK | 0.8999 |
12 | FA6 | 0.8984 |
13 | MBG | 0.8964 |
14 | SR4 | 0.8962 |
15 | PDC | 0.8959 |
16 | FSW | 0.8952 |
17 | NZ3 | 0.8950 |
18 | 091 | 0.8948 |
19 | GLY ASP | 0.8943 |
20 | CBF | 0.8942 |
21 | NQM | 0.8936 |
22 | M5N | 0.8928 |
23 | 1PL | 0.8928 |
24 | 5NS | 0.8922 |
25 | XQB | 0.8919 |
26 | OTD | 0.8917 |
27 | 1N4 | 0.8911 |
28 | TQU | 0.8906 |
29 | EDM | 0.8897 |
30 | JR2 | 0.8897 |
31 | 7WR | 0.8893 |
32 | Q7A | 0.8893 |
33 | 5WY | 0.8891 |
34 | 7A2 | 0.8889 |
35 | 8VE | 0.8887 |
36 | 7ZE | 0.8880 |
37 | HMQ | 0.8879 |
38 | 4XY | 0.8878 |
39 | 41K | 0.8874 |
40 | ALA LEU | 0.8872 |
41 | CIT | 0.8866 |
42 | GLY LEU | 0.8865 |
43 | 4KL | 0.8864 |
44 | NZ2 | 0.8861 |
45 | ICT | 0.8860 |
46 | FWB | 0.8854 |
47 | DNF | 0.8850 |
48 | 8VN | 0.8848 |
49 | NTZ | 0.8846 |
50 | 6R8 | 0.8841 |
51 | 9X5 | 0.8840 |
52 | 4WK | 0.8838 |
53 | MUR | 0.8837 |
54 | NLA | 0.8829 |
55 | LT3 | 0.8829 |
56 | SXS | 0.8826 |
57 | 8GK | 0.8824 |
58 | 2ZQ | 0.8823 |
59 | ADA | 0.8821 |
60 | 7A3 | 0.8816 |
61 | JKZ | 0.8812 |
62 | HCA | 0.8812 |
63 | HHT | 0.8811 |
64 | UAN | 0.8808 |
65 | OKM | 0.8803 |
66 | FBG | 0.8802 |
67 | AEZ | 0.8801 |
68 | C2Y | 0.8801 |
69 | GTL | 0.8800 |
70 | AIN | 0.8800 |
71 | 772 | 0.8796 |
72 | MVL | 0.8795 |
73 | FLC | 0.8794 |
74 | 20J | 0.8793 |
75 | D07 | 0.8793 |
76 | NCD | 0.8788 |
77 | N88 | 0.8788 |
78 | GIM | 0.8783 |
79 | IPT | 0.8779 |
80 | HTP | 0.8773 |
81 | ATH | 0.8771 |
82 | GLA | 0.8771 |
83 | 8XQ | 0.8766 |
84 | 2CG | 0.8765 |
85 | PX7 | 0.8765 |
86 | 2BQ | 0.8765 |
87 | PRE | 0.8765 |
88 | K2P | 0.8759 |
89 | EEO | 0.8757 |
90 | 7ZC | 0.8756 |
91 | SYR | 0.8753 |
92 | 9FQ | 0.8748 |
93 | 87L | 0.8747 |
94 | 692 | 0.8745 |
95 | 40H | 0.8743 |
96 | 1AL | 0.8742 |
97 | I6G | 0.8742 |
98 | 42C | 0.8740 |
99 | QPR | 0.8740 |
100 | MIG | 0.8738 |
101 | ISJ | 0.8736 |
102 | FHN | 0.8735 |
103 | GAL | 0.8735 |
104 | S3P | 0.8734 |
105 | KFH | 0.8733 |
106 | 7FF | 0.8731 |
107 | 1Z8 | 0.8731 |
108 | GTC | 0.8728 |
109 | 64C | 0.8728 |
110 | INE | 0.8721 |
111 | 2SX | 0.8716 |
112 | 4AV | 0.8715 |
113 | 2MN | 0.8714 |
114 | II6 | 0.8714 |
115 | 67X | 0.8712 |
116 | IAC | 0.8709 |
117 | SRO | 0.8709 |
118 | 8WQ | 0.8708 |
119 | 60Q | 0.8707 |
120 | 6VD | 0.8700 |
121 | MHK | 0.8700 |
122 | KAI | 0.8700 |
123 | X8D | 0.8700 |
124 | 6BL | 0.8700 |
125 | HA7 | 0.8700 |
126 | ZZ8 | 0.8700 |
127 | PFL | 0.8697 |
128 | GTR | 0.8696 |
129 | AKH | 0.8696 |
130 | XQK | 0.8694 |
131 | FDK | 0.8693 |
132 | FH2 | 0.8692 |
133 | GV9 | 0.8691 |
134 | K99 | 0.8688 |
135 | F12 | 0.8688 |
136 | VK3 | 0.8687 |
137 | KYA | 0.8682 |
138 | DJN | 0.8682 |
139 | KO2 | 0.8680 |
140 | 5VJ | 0.8679 |
141 | AH8 | 0.8676 |
142 | CCB | 0.8675 |
143 | CKU | 0.8673 |
144 | M3Q | 0.8672 |
145 | NVU | 0.8672 |
146 | 4VS | 0.8670 |
147 | 3R9 | 0.8667 |
148 | MYI | 0.8667 |
149 | B2Y | 0.8666 |
150 | MYT | 0.8664 |
151 | MMA | 0.8664 |
152 | 7I2 | 0.8664 |
153 | SBK | 0.8662 |
154 | 3E2 | 0.8662 |
155 | MNP | 0.8661 |
156 | 8WZ | 0.8660 |
157 | PD2 | 0.8660 |
158 | Q71 | 0.8655 |
159 | JF4 | 0.8654 |
160 | 5OF | 0.8651 |
161 | HS7 | 0.8647 |
162 | F52 | 0.8646 |
163 | 4ME | 0.8646 |
164 | TNF | 0.8646 |
165 | F69 | 0.8643 |
166 | GOX | 0.8642 |
167 | LDR | 0.8642 |
168 | 9AP | 0.8642 |
169 | LFR | 0.8642 |
170 | 94E | 0.8640 |
171 | KIF | 0.8638 |
172 | MQB | 0.8637 |
173 | JAA | 0.8634 |
174 | IBM | 0.8632 |
175 | NBB | 0.8632 |
176 | QM1 | 0.8630 |
177 | 2LY | 0.8627 |
178 | MFU | 0.8626 |
179 | IOS | 0.8623 |
180 | X6X | 0.8621 |
181 | 0UT | 0.8621 |
182 | FOT | 0.8620 |
183 | ZME | 0.8617 |
184 | W8G | 0.8615 |
185 | 49O | 0.8614 |
186 | EY7 | 0.8613 |
187 | NLG | 0.8611 |
188 | MN9 | 0.8610 |
189 | TRA | 0.8610 |
190 | YTZ | 0.8610 |
191 | LT8 | 0.8605 |
192 | OMD | 0.8604 |
193 | LEL | 0.8604 |
194 | V6F | 0.8604 |
195 | GAF | 0.8603 |
196 | 49N | 0.8599 |
197 | DQA | 0.8596 |
198 | QVK | 0.8591 |
199 | AOZ | 0.8590 |
200 | KED | 0.8586 |
201 | TRC | 0.8583 |
202 | TNL | 0.8581 |
203 | NID | 0.8580 |
204 | GLC | 0.8580 |
205 | MCO | 0.8576 |
206 | 1X7 | 0.8575 |
207 | TSR | 0.8574 |
208 | QAT | 0.8569 |
209 | H6B | 0.8562 |
210 | O2A | 0.8561 |
211 | SFU | 0.8560 |
212 | RES | 0.8560 |
213 | AOR | 0.8554 |
214 | 64E | 0.8553 |
215 | 7CT | 0.8553 |
216 | 5NE | 0.8540 |
217 | HNQ | 0.8533 |
218 | H62 | 0.8516 |
219 | 2V0 | 0.8516 |
220 | EMZ | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 3duv.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3duv.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |