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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 7 families. | |||||
1 | 3ND7 | - | PNY | C11 H22 N2 O4 S | CC(C)(CO)[.... |
2 | 3ND6 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6CHO | ic50 = 167 nM | F14 | C21 H21 N5 O3 | CC1=Nc2nc(.... |
2 | 6CHL | Kd = 9 nM | EXJ | C15 H13 Cl N6 O | CC1=Nc2nc(.... |
3 | 6CCN | ic50 = 0.051 uM | EXS | C15 H21 N3 O4 | CC(C)(CO)[.... |
4 | 6CCM | ic50 = 5.6 uM | EXP | C13 H12 Br N5 O | CC1=Nc2nc(.... |
5 | 6CHN | Kd = 11 nM | F1D | C22 H25 N7 O4 | CC1=Nc2nc(.... |
6 | 6B7C | Kd = 7.2 uM | CWP | C13 H16 N6 | Cc1ccc2c(n.... |
7 | 6B7A | Kd = 32 uM | CWM | C8 H8 N2 O | Cc1[nH]c2c.... |
8 | 6CCL | ic50 = 273 uM | EXG | C13 H11 N3 | c1ccc(cc1).... |
9 | 1H1T | - | PNS | C11 H23 N2 O7 P S | CC(C)(COP(.... |
10 | 1GN8 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
11 | 6CCK | ic50 = 0.037 uM | EXJ | C15 H13 Cl N6 O | CC1=Nc2nc(.... |
12 | 1B6T | - | COD | C21 H35 N7 O13 P2 S | CC(C)(CO[P.... |
13 | 6CHQ | ic50 = 4.4 uM | F0V | C20 H19 Cl N5 | Cc1ccc(cc1.... |
14 | 6CCQ | ic50 = 0.25 uM | EX7 | C15 H13 Cl N2 O | c1cc(cc(c1.... |
15 | 6CHP | Kd = 0.075 nM | F0Y | C24 H28 N6 O2 | Cc1ccc2c(n.... |
16 | 6CCS | ic50 = 230 uM | EXD | C8 H5 F3 N2 O | c1cc2c(c(c.... |
17 | 6CKW | Kd = 0.83 nM | F6D | C24 H25 Cl N8 O | Cc1cc(n2c(.... |
18 | 6B7D | ic50 = 546 uM | CWG | C13 H13 Cl N2 O | Cc1c(c(nnc.... |
19 | 6CCO | ic50 = 0.051 uM | EXV | C19 H18 N2 O3 | c1cc(cc(c1.... |
20 | 6B7B | Kd = 1280 uM | CWJ | C10 H11 N O | Cc1cc2cc(c.... |
21 | 1QJC | - | PNS | C11 H23 N2 O7 P S | CC(C)(COP(.... |
22 | 6CHM | ic50 = 199 uM | F1V | C16 H22 N2 O2 | CC(C)(C)C(.... |
23 | 6B7E | ic50 = 320.6 uM | CWA | C15 H14 F2 N2 O2 | CC1([C@@H].... |
24 | 3ND7 | - | PNY | C11 H22 N2 O4 S | CC(C)(CO)[.... |
25 | 3ND6 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
26 | 3UC5 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
27 | 3PNB | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
28 | 3NBK | - | PNS | C11 H23 N2 O7 P S | CC(C)(COP(.... |
29 | 1OD6 | - | PNS | C11 H23 N2 O7 P S | CC(C)(COP(.... |
30 | 5O0A | Kd = 0.58 mM | 9FH | C11 H10 N2 O2 | Cc1c(cnn1c.... |
31 | 5O0D | - | 9F5 | C14 H12 O4 | c1ccc(cc1).... |
32 | 5O0F | - | IOP | C11 H11 N O2 | c1ccc2c(c1.... |
33 | 5O08 | - | COD | C21 H35 N7 O13 P2 S | CC(C)(CO[P.... |
34 | 5O0C | - | 9F8 | C12 H13 N O2 | Cc1cn(c2c1.... |
35 | 5O0B | Kd = 66 uM | 9FE | C8 H5 Br N2 O2 | c1cc2c(cc1.... |
36 | 5O0H | - | 9FN | C14 H8 Cl N O5 | c1ccc(c(c1.... |
37 | 3K9W | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
38 | 3PXU | - | COD | C21 H35 N7 O13 P2 S | CC(C)(CO[P.... |
39 | 1O6B | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
40 | 4NAU | - | 2W3 | C25 H26 Cl2 N6 O4 | CCc1cc(nc(.... |
41 | 4NAH | - | 2VJ | C24 H25 Cl2 N5 O3 S | CCc1cc(nc(.... |
42 | 3F3M | - | PPS | C10 H15 N5 O13 P2 S | c1nc(c2c(n.... |
43 | 4NAT | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
44 | 4RUK | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
45 | 3X1J | Ki = 8.4 uM | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
46 | 3X1M | Ki = 6.5 uM | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
47 | 1VLH | - | PNS | C11 H23 N2 O7 P S | CC(C)(COP(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HEJ | 1 | 1 |
2 | ATP | 1 | 1 |
3 | 5FA | 0.985507 | 1 |
4 | AQP | 0.985507 | 1 |
5 | AP5 | 0.927536 | 0.971831 |
6 | B4P | 0.927536 | 0.971831 |
7 | BA3 | 0.913043 | 0.971831 |
8 | ADP | 0.9 | 1 |
9 | A2D | 0.884058 | 0.971831 |
10 | AGS | 0.84 | 0.945946 |
11 | SAP | 0.84 | 0.945946 |
12 | 6YZ | 0.833333 | 0.972222 |
13 | AT4 | 0.810811 | 0.958904 |
14 | AN2 | 0.810811 | 0.985915 |
15 | 25L | 0.809524 | 0.985915 |
16 | AR6 | 0.802632 | 0.971831 |
17 | APR | 0.802632 | 0.971831 |
18 | M33 | 0.8 | 0.958333 |
19 | ACQ | 0.794872 | 0.972222 |
20 | TAT | 0.794872 | 0.958904 |
21 | T99 | 0.794872 | 0.958904 |
22 | AD9 | 0.792208 | 0.972222 |
23 | ACP | 0.789474 | 0.972222 |
24 | AMP | 0.788732 | 0.971429 |
25 | A | 0.788732 | 0.971429 |
26 | ANP | 0.772152 | 0.972222 |
27 | CA0 | 0.753247 | 0.945205 |
28 | ADX | 0.753247 | 0.873418 |
29 | A22 | 0.746988 | 0.985915 |
30 | 50T | 0.74359 | 0.958333 |
31 | PRX | 0.734177 | 0.893333 |
32 | APC | 0.734177 | 0.958904 |
33 | ABM | 0.733333 | 0.917808 |
34 | ATF | 0.731707 | 0.958904 |
35 | ITT | 0.730769 | 0.943662 |
36 | 7D4 | 0.730769 | 0.905405 |
37 | ADQ | 0.729412 | 0.945205 |
38 | A3R | 0.729412 | 0.907895 |
39 | AP2 | 0.714286 | 0.958904 |
40 | A12 | 0.714286 | 0.958904 |
41 | A1R | 0.709302 | 0.907895 |
42 | SRA | 0.706667 | 0.918919 |
43 | 5AL | 0.698795 | 0.931507 |
44 | HFD | 0.695122 | 0.945946 |
45 | 9X8 | 0.693182 | 0.92 |
46 | OAD | 0.693182 | 0.945205 |
47 | AU1 | 0.6875 | 0.972222 |
48 | SRP | 0.682353 | 0.906667 |
49 | G5P | 0.680851 | 0.921053 |
50 | 25A | 0.678161 | 0.971831 |
51 | 3OD | 0.677778 | 0.945205 |
52 | 4AD | 0.670455 | 0.92 |
53 | G3A | 0.670213 | 0.921053 |
54 | 00A | 0.662921 | 0.883117 |
55 | RBY | 0.662651 | 0.932432 |
56 | ADP PO3 | 0.662651 | 0.943662 |
57 | ADV | 0.662651 | 0.932432 |
58 | BIS | 0.659341 | 0.933333 |
59 | 8QN | 0.659091 | 0.931507 |
60 | 5SV | 0.659091 | 0.848101 |
61 | OOB | 0.659091 | 0.931507 |
62 | GTA | 0.65625 | 0.886076 |
63 | UP5 | 0.653061 | 0.92 |
64 | AMO | 0.651685 | 0.932432 |
65 | PAJ | 0.651685 | 0.884615 |
66 | 2A5 | 0.650602 | 0.918919 |
67 | MAP | 0.647727 | 0.945946 |
68 | 3AT | 0.647059 | 0.971831 |
69 | AHX | 0.644444 | 0.896104 |
70 | DLL | 0.644444 | 0.931507 |
71 | ATR | 0.642857 | 0.971429 |
72 | PAP | 0.642857 | 0.985714 |
73 | PTJ | 0.641304 | 0.896104 |
74 | 7D3 | 0.6375 | 0.905405 |
75 | 3UK | 0.637363 | 0.918919 |
76 | SON | 0.634146 | 0.932432 |
77 | A4P | 0.633663 | 0.843373 |
78 | ALF ADP | 0.632184 | 0.87013 |
79 | ADP ALF | 0.632184 | 0.87013 |
80 | PR8 | 0.630435 | 0.85 |
81 | WAQ | 0.630435 | 0.883117 |
82 | LAD | 0.630435 | 0.860759 |
83 | B5V | 0.630435 | 0.906667 |
84 | AFH | 0.628866 | 0.884615 |
85 | LMS | 0.628205 | 0.82716 |
86 | GAP | 0.627907 | 0.893333 |
87 | DTP | 0.627907 | 0.905405 |
88 | VO4 ADP | 0.625 | 0.931507 |
89 | ADP VO4 | 0.625 | 0.931507 |
90 | TXA | 0.623656 | 0.932432 |
91 | ME8 | 0.623656 | 0.839506 |
92 | 1ZZ | 0.623656 | 0.839506 |
93 | NB8 | 0.623656 | 0.896104 |
94 | FYA | 0.623656 | 0.905405 |
95 | DQV | 0.622449 | 0.958333 |
96 | T5A | 0.621359 | 0.841463 |
97 | ADN | 0.619718 | 0.84507 |
98 | RAB | 0.619718 | 0.84507 |
99 | XYA | 0.619718 | 0.84507 |
100 | DAL AMP | 0.611111 | 0.905405 |
101 | 9SN | 0.610526 | 0.871795 |
102 | 48N | 0.61 | 0.896104 |
103 | AP0 | 0.607843 | 0.896104 |
104 | 9ZD | 0.604396 | 0.907895 |
105 | 9ZA | 0.604396 | 0.907895 |
106 | FA5 | 0.604167 | 0.906667 |
107 | B5M | 0.604167 | 0.894737 |
108 | YAP | 0.604167 | 0.894737 |
109 | B5Y | 0.604167 | 0.894737 |
110 | NAI | 0.60396 | 0.907895 |
111 | 6V0 | 0.60396 | 0.896104 |
112 | TXD | 0.60396 | 0.907895 |
113 | DND | 0.60396 | 0.932432 |
114 | NXX | 0.60396 | 0.932432 |
115 | NAX | 0.60396 | 0.873418 |
116 | ADP BMA | 0.602151 | 0.918919 |
117 | A2R | 0.6 | 0.985915 |
118 | OMR | 0.598039 | 0.851852 |
119 | TXE | 0.598039 | 0.907895 |
120 | XAH | 0.597938 | 0.839506 |
121 | 7DT | 0.593023 | 0.985714 |
122 | AOC | 0.592593 | 0.821918 |
123 | 4UV | 0.591837 | 0.894737 |
124 | DDS | 0.590909 | 0.878378 |
125 | 139 | 0.590476 | 0.873418 |
126 | CNA | 0.584906 | 0.932432 |
127 | 6AD | 0.58427 | 0.909091 |
128 | 5AS | 0.583333 | 0.77907 |
129 | 5N5 | 0.581081 | 0.819444 |
130 | GA7 | 0.58 | 0.906667 |
131 | 4UU | 0.58 | 0.894737 |
132 | 4TC | 0.576923 | 0.896104 |
133 | ADJ | 0.575472 | 0.851852 |
134 | 5CD | 0.573333 | 0.805556 |
135 | A4D | 0.573333 | 0.819444 |
136 | RGT | 0.571429 | 0.958904 |
137 | A3P | 0.571429 | 0.971429 |
138 | 7D5 | 0.56962 | 0.878378 |
139 | LAQ | 0.568627 | 0.839506 |
140 | F2R | 0.564815 | 0.864198 |
141 | 80F | 0.563636 | 0.841463 |
142 | YLP | 0.563107 | 0.819277 |
143 | A A | 0.5625 | 0.944444 |
144 | UPA | 0.561905 | 0.907895 |
145 | AV2 | 0.56044 | 0.917808 |
146 | COD | 0.559633 | 0.811765 |
147 | 4UW | 0.557692 | 0.860759 |
148 | JB6 | 0.556701 | 0.883117 |
149 | 3AM | 0.555556 | 0.929577 |
150 | ATP A A A | 0.555556 | 0.930556 |
151 | A2P | 0.552941 | 0.957143 |
152 | TYM | 0.552381 | 0.906667 |
153 | NA7 | 0.552083 | 0.958904 |
154 | EP4 | 0.551282 | 0.753247 |
155 | MYR AMP | 0.55102 | 0.817073 |
156 | PPS | 0.549451 | 0.873418 |
157 | YLC | 0.54717 | 0.839506 |
158 | YLB | 0.54717 | 0.819277 |
159 | NAD | 0.545455 | 0.931507 |
160 | DAT | 0.545455 | 0.905405 |
161 | TYR AMP | 0.544554 | 0.87013 |
162 | G5A | 0.544444 | 0.77907 |
163 | M2T | 0.544304 | 0.734177 |
164 | DTA | 0.544304 | 0.786667 |
165 | 3DH | 0.54321 | 0.773333 |
166 | 128 | 0.542857 | 0.776471 |
167 | AHZ | 0.538462 | 0.817073 |
168 | GTP | 0.537634 | 0.92 |
169 | SSA | 0.537634 | 0.8 |
170 | MTA | 0.5375 | 0.773333 |
171 | IOT | 0.537037 | 0.831325 |
172 | A3D | 0.535714 | 0.918919 |
173 | ARG AMP | 0.533981 | 0.829268 |
174 | 7MD | 0.533981 | 0.8625 |
175 | AR6 AR6 | 0.533981 | 0.917808 |
176 | YLA | 0.53211 | 0.819277 |
177 | AMP DBH | 0.529412 | 0.893333 |
178 | IMO | 0.529412 | 0.929577 |
179 | TAD | 0.528846 | 0.884615 |
180 | AYB | 0.527273 | 0.809524 |
181 | A5A | 0.526882 | 0.807229 |
182 | HDV | 0.526882 | 0.893333 |
183 | TSB | 0.526316 | 0.819277 |
184 | EAD | 0.525424 | 0.873418 |
185 | 2AM | 0.52439 | 0.943662 |
186 | 6RE | 0.52381 | 0.759494 |
187 | 7DD | 0.522727 | 0.985714 |
188 | V3L | 0.521739 | 0.971831 |
189 | AVV | 0.520833 | 0.896104 |
190 | BTX | 0.517857 | 0.841463 |
191 | NAE | 0.517241 | 0.894737 |
192 | 52H | 0.515789 | 0.77907 |
193 | 54H | 0.515789 | 0.788235 |
194 | VMS | 0.515789 | 0.788235 |
195 | NSS | 0.515464 | 0.8 |
196 | BT5 | 0.513274 | 0.831325 |
197 | NAQ | 0.512821 | 0.871795 |
198 | ZAS | 0.511905 | 0.766234 |
199 | J7C | 0.511628 | 0.769231 |
200 | A3N | 0.511628 | 0.786667 |
201 | 5X8 | 0.511111 | 0.763158 |
202 | 53H | 0.510417 | 0.77907 |
203 | 8X1 | 0.510417 | 0.752809 |
204 | 5CA | 0.510417 | 0.8 |
205 | NVA LMS | 0.510204 | 0.752809 |
206 | ARU | 0.510204 | 0.860759 |
207 | AF3 ADP 3PG | 0.509259 | 0.8375 |
208 | ZID | 0.508475 | 0.918919 |
209 | P1H | 0.508197 | 0.851852 |
210 | OVE | 0.505882 | 0.905405 |
211 | S4M | 0.505747 | 0.666667 |
212 | LEU LMS | 0.50505 | 0.752809 |
213 | LPA AMP | 0.504673 | 0.817073 |
214 | 7MC | 0.504587 | 0.841463 |
215 | DZD | 0.5 | 0.884615 |
216 | FB0 | 0.5 | 0.804598 |
217 | MAO | 0.5 | 0.759036 |
218 | DSZ | 0.5 | 0.8 |
219 | LSS | 0.5 | 0.761364 |
220 | DSH | 0.5 | 0.725 |
221 | P5A | 0.5 | 0.744444 |
222 | NDE | 0.495935 | 0.932432 |
223 | N0B | 0.495798 | 0.819277 |
224 | M24 | 0.495726 | 0.85 |
225 | YLY | 0.495726 | 0.809524 |
226 | NJP | 0.495575 | 0.945946 |
227 | 9K8 | 0.49505 | 0.714286 |
228 | MGP | 0.494737 | 0.884615 |
229 | 6C6 | 0.494624 | 0.881579 |
230 | NAJ PZO | 0.491379 | 0.848101 |
231 | 0WD | 0.491228 | 0.921053 |
232 | 6G0 | 0.489583 | 0.884615 |
233 | GJV | 0.488636 | 0.75 |
234 | 6FA | 0.488189 | 0.841463 |
235 | 5AD | 0.486842 | 0.746479 |
236 | KAA | 0.485149 | 0.752809 |
237 | GSU | 0.485149 | 0.77907 |
238 | 71V | 0.483146 | 0.907895 |
239 | NEC | 0.482759 | 0.746667 |
240 | A3G | 0.482759 | 0.8 |
241 | ODP | 0.482456 | 0.909091 |
242 | FAS | 0.48062 | 0.851852 |
243 | FAD | 0.48062 | 0.851852 |
244 | 7D7 | 0.480519 | 0.743243 |
245 | FDA | 0.480315 | 0.833333 |
246 | N6P | 0.48 | 0.915493 |
247 | 2SA | 0.479167 | 0.932432 |
248 | GP3 | 0.478723 | 0.921053 |
249 | 4TA | 0.478261 | 0.807229 |
250 | SFG | 0.478261 | 0.75 |
251 | G A A A | 0.478261 | 0.871795 |
252 | AMP NAD | 0.478261 | 0.905405 |
253 | NPW | 0.477876 | 0.886076 |
254 | NDP | 0.477876 | 0.921053 |
255 | NDC | 0.47619 | 0.871795 |
256 | YSA | 0.47619 | 0.77907 |
257 | NAJ PYZ | 0.475 | 0.807229 |
258 | MGO | 0.474227 | 0.860759 |
259 | GDP | 0.473684 | 0.92 |
260 | NZQ | 0.473684 | 0.909091 |
261 | TXP | 0.473684 | 0.921053 |
262 | 6IA | 0.473684 | 0.8375 |
263 | A7D | 0.472527 | 0.776316 |
264 | SFD | 0.469231 | 0.734043 |
265 | A5D | 0.468085 | 0.786667 |
266 | SA8 | 0.468085 | 0.707317 |
267 | ZDA | 0.468085 | 0.864865 |
268 | 12D | 0.46789 | 0.785714 |
269 | PGS | 0.467391 | 0.883117 |
270 | MHZ | 0.467391 | 0.697674 |
271 | 8PZ | 0.466667 | 0.8 |
272 | 62F | 0.466165 | 0.8625 |
273 | DA | 0.465909 | 0.878378 |
274 | D5M | 0.465909 | 0.878378 |
275 | GGZ | 0.464646 | 0.825 |
276 | SAH | 0.463158 | 0.74359 |
277 | SAI | 0.463158 | 0.734177 |
278 | FAY | 0.462687 | 0.8625 |
279 | Y3J | 0.4625 | 0.726027 |
280 | PO4 PO4 A A A A PO4 | 0.460784 | 0.902778 |
281 | AAM | 0.460674 | 0.971429 |
282 | RFL | 0.459259 | 0.821429 |
283 | SMM | 0.459184 | 0.686047 |
284 | HF7 | 0.459184 | 0.893333 |
285 | AMZ | 0.458824 | 0.916667 |
286 | C2R | 0.458824 | 0.90411 |
287 | SAM | 0.458333 | 0.690476 |
288 | A3S | 0.456522 | 0.810811 |
289 | FNK | 0.455224 | 0.804598 |
290 | U A | 0.453782 | 0.907895 |
291 | 7C5 | 0.453704 | 0.818182 |
292 | EEM | 0.453608 | 0.690476 |
293 | AAT | 0.453608 | 0.707317 |
294 | XNP | 0.452991 | 0.873418 |
295 | A G | 0.452991 | 0.883117 |
296 | PRT | 0.45283 | 0.931507 |
297 | AIR | 0.451219 | 0.901408 |
298 | 62X | 0.45098 | 0.666667 |
299 | DCA | 0.45 | 0.823529 |
300 | ETB | 0.45 | 0.833333 |
301 | GSP | 0.45 | 0.873418 |
302 | U A G G | 0.449153 | 0.883117 |
303 | NIA | 0.448276 | 0.822785 |
304 | A3T | 0.446809 | 0.821918 |
305 | A A A | 0.446602 | 0.905405 |
306 | K15 | 0.446602 | 0.682353 |
307 | PUA | 0.446281 | 0.884615 |
308 | 6K6 | 0.445545 | 0.930556 |
309 | GEK | 0.445545 | 0.7375 |
310 | 4YB | 0.445455 | 0.761364 |
311 | S7M | 0.444444 | 0.690476 |
312 | Z5A | 0.443548 | 0.77907 |
313 | 1DG | 0.443548 | 0.921053 |
314 | DG1 | 0.443548 | 0.921053 |
315 | 0T1 | 0.442623 | 0.823529 |
316 | COA | 0.442623 | 0.823529 |
317 | WSA | 0.442478 | 0.788235 |
318 | 8BR | 0.43956 | 0.906667 |
319 | 8Q2 | 0.438596 | 0.772727 |
320 | 101 | 0.438202 | 0.878378 |
321 | IDP | 0.4375 | 0.918919 |
322 | NVA 2AD | 0.4375 | 0.759494 |
323 | 9JJ | 0.435714 | 0.8625 |
324 | NAP | 0.435484 | 0.945205 |
325 | APU | 0.434783 | 0.894737 |
326 | A U | 0.434783 | 0.87013 |
327 | 7RP | 0.433333 | 0.928571 |
328 | A6D | 0.432692 | 0.722892 |
329 | AMX | 0.432 | 0.833333 |
330 | J7V | 0.432 | 0.833333 |
331 | TAP | 0.432 | 0.907895 |
332 | COS | 0.432 | 0.804598 |
333 | CAO | 0.432 | 0.795455 |
334 | 30N | 0.432 | 0.752688 |
335 | V1N | 0.431193 | 0.917808 |
336 | 649 | 0.429825 | 0.744444 |
337 | P5F | 0.429577 | 0.823529 |
338 | NA0 | 0.428571 | 0.932432 |
339 | SCO | 0.428571 | 0.823529 |
340 | CMX | 0.428571 | 0.823529 |
341 | 7RA | 0.428571 | 0.957747 |
342 | 0UM | 0.427184 | 0.698795 |
343 | GAV | 0.427184 | 0.884615 |
344 | QQY | 0.426966 | 0.815789 |
345 | 1RB | 0.426966 | 0.885714 |
346 | ACK | 0.426966 | 0.861111 |
347 | G1R | 0.425743 | 0.907895 |
348 | GCP | 0.425743 | 0.896104 |
349 | FAM | 0.425197 | 0.804598 |
350 | FCX | 0.425197 | 0.795455 |
351 | ACO | 0.425197 | 0.795455 |
352 | GNH | 0.424242 | 0.907895 |
353 | F2N | 0.423611 | 0.813953 |
354 | GKE | 0.422018 | 0.884615 |
355 | GDD | 0.422018 | 0.884615 |
356 | GDC | 0.422018 | 0.884615 |
357 | HAX | 0.421875 | 0.804598 |
358 | 3AD | 0.421687 | 0.805556 |
359 | 9GM | 0.421569 | 0.896104 |
360 | GNP | 0.421569 | 0.896104 |
361 | FA9 | 0.42069 | 0.864198 |
362 | TM1 | 0.420561 | 0.77381 |
363 | KB1 | 0.420561 | 0.698795 |
364 | H6Y | 0.42 | 0.945205 |
365 | 2MC | 0.419847 | 0.769231 |
366 | 3KK | 0.418605 | 0.804598 |
367 | FYN | 0.418605 | 0.823529 |
368 | S8M | 0.417476 | 0.759494 |
369 | 7L1 | 0.417323 | 0.795455 |
370 | 2VA | 0.416667 | 0.8 |
371 | 26A | 0.416667 | 0.763158 |
372 | NHD | 0.416667 | 0.905405 |
373 | QQX | 0.41573 | 0.805195 |
374 | CA6 | 0.415385 | 0.729167 |
375 | OXK | 0.415385 | 0.804598 |
376 | COK | 0.415385 | 0.804598 |
377 | SOP | 0.415385 | 0.804598 |
378 | MCD | 0.415385 | 0.804598 |
379 | YE1 | 0.413534 | 0.813953 |
380 | RMB | 0.413043 | 0.873239 |
381 | FAI | 0.413043 | 0.916667 |
382 | AS | 0.413043 | 0.833333 |
383 | CO6 | 0.412214 | 0.804598 |
384 | 1VU | 0.412214 | 0.795455 |
385 | CMC | 0.412214 | 0.804598 |
386 | NMX | 0.412214 | 0.76087 |
387 | SXZ | 0.411215 | 0.710843 |
388 | ANZ | 0.410714 | 0.8 |
389 | SCA | 0.410448 | 0.804598 |
390 | CAJ | 0.409091 | 0.804598 |
391 | SCD | 0.409091 | 0.823529 |
392 | EO7 | 0.408602 | 0.788235 |
393 | D3Y | 0.407767 | 0.789474 |
394 | CC5 | 0.407407 | 0.816901 |
395 | KH3 | 0.40708 | 0.674419 |
396 | A C A C | 0.406504 | 0.848101 |
397 | SLU | 0.406504 | 0.770115 |
398 | G | 0.40625 | 0.906667 |
399 | 5GP | 0.40625 | 0.906667 |
400 | A1S | 0.406015 | 0.804598 |
401 | IVC | 0.406015 | 0.813953 |
402 | MLC | 0.406015 | 0.804598 |
403 | 3HC | 0.406015 | 0.813953 |
404 | 1HE | 0.406015 | 0.786517 |
405 | BCO | 0.406015 | 0.804598 |
406 | GTG | 0.405405 | 0.886076 |
407 | NMN AMP PO4 | 0.404959 | 0.87013 |
408 | 3D1 | 0.404762 | 0.773333 |
409 | 3L1 | 0.404762 | 0.773333 |
410 | 2BA | 0.404255 | 0.915493 |
411 | CMP | 0.404255 | 0.901408 |
412 | VRT | 0.40404 | 0.769231 |
413 | SO8 | 0.40404 | 0.789474 |
414 | MCA | 0.402985 | 0.795455 |
415 | COO | 0.402985 | 0.804598 |
416 | CAA | 0.402985 | 0.813953 |
417 | 3NZ | 0.401869 | 0.782051 |
418 | G2R | 0.401869 | 0.884615 |
419 | ZZB | 0.4 | 0.77381 |
420 | 2FA | 0.4 | 0.813333 |
421 | MC4 | 0.4 | 0.76087 |
422 | 2CP | 0.4 | 0.795455 |
This union binding pocket(no: 1) in the query (biounit: 3nd6.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1C9K | 5GP | None |
2 | 2Y7I | ARG | None |
3 | 2VWA | PTY | None |
4 | 3O01 | DXC | None |
5 | 4WG0 | CHD | None |
6 | 3G6N | MET ALA SER | 1.75439 |
7 | 6GMN | F4E | 1.75439 |
8 | 2D24 | XYS XYS | 2.33918 |
9 | 6BR8 | PGV | 2.33918 |
10 | 5LNW | RP5 | 2.33918 |
11 | 6F5W | KG1 | 2.92398 |
12 | 4UYW | H1S | 2.92398 |
13 | 1KNM | LAT | 3.07692 |
14 | 2CYB | TYR | 3.50877 |
15 | 5XJ7 | 87O | 3.50877 |
16 | 2BOY | BHO | 3.50877 |
17 | 3ZKI | WZV | 3.50877 |
18 | 4O4Z | N2O | 3.8961 |
19 | 3KO0 | TFP | 3.9604 |
20 | 5Y0T | TAT | 4.09357 |
21 | 5Y0Q | APC | 4.09357 |
22 | 5JOG | 6LT | 4.09357 |
23 | 3HL4 | CDC | 4.09357 |
24 | 5Y0N | ATP | 4.09357 |
25 | 1YID | ATP | 4.09357 |
26 | 2CYC | TYR | 4.09357 |
27 | 5DCH | 1YO | 4.09357 |
28 | 4RYV | ZEA | 4.51613 |
29 | 5OM2 | DXT | 4.60705 |
30 | 5IUY | BOG | 4.67836 |
31 | 1M2Z | BOG | 4.67836 |
32 | 5X13 | HC4 | 4.67836 |
33 | 4HY1 | 19X | 4.67836 |
34 | 2HZL | PYR | 4.67836 |
35 | 3ET3 | ET1 | 4.67836 |
36 | 1PFY | MSP | 4.71869 |
37 | 6BJO | DUY | 4.8 |
38 | 5X3D | 7XL | 5 |
39 | 5LX9 | OLB | 5.26316 |
40 | 1V47 | ADX | 5.26316 |
41 | 4MAF | ADX | 5.26316 |
42 | 1UY4 | XYP XYP XYP XYP | 5.26316 |
43 | 2O1O | RIS | 5.26316 |
44 | 1RL4 | BRR | 5.26316 |
45 | 1G5N | UAP SGN IDS SGN | 5.26316 |
46 | 2BHW | NEX | 5.26316 |
47 | 4JZB | P2H | 5.26316 |
48 | 4JE7 | BB2 | 5.26316 |
49 | 5N5U | AMP | 5.26316 |
50 | 5V03 | 658 | 5.36913 |
51 | 3GQK | ATP | 5.52147 |
52 | 5ZDK | ATP | 5.84795 |
53 | 3WQM | B29 | 5.84795 |
54 | 1T0S | BML | 5.84795 |
55 | 3C8Z | 5CA | 5.84795 |
56 | 4K7O | EKZ | 5.95238 |
57 | 5OCA | 9QZ | 6.34921 |
58 | 3R9V | DXC | 6.43275 |
59 | 1DTL | BEP | 6.8323 |
60 | 4QGE | 35O | 7.01754 |
61 | 1XMY | ROL | 7.01754 |
62 | 3COW | 52H | 7.30897 |
63 | 1UXX | XYP XYP XYP XYP XYP | 7.5188 |
64 | 2QTR | NXX | 7.60234 |
65 | 2H29 | DND | 7.60234 |
66 | 5DK4 | ATP | 7.60234 |
67 | 5DK4 | 5BX | 7.60234 |
68 | 4P8O | 883 | 7.60234 |
69 | 1KQN | NAD | 8.18713 |
70 | 1NUS | NMN | 8.18713 |
71 | 1NUS | APC | 8.18713 |
72 | 2RI1 | GLP | 8.18713 |
73 | 3VV5 | SLZ | 9.35672 |
74 | 3W68 | PBU | 9.35672 |
75 | 3HQ9 | OXL | 9.94152 |
76 | 5W3X | ACO | 9.94152 |
77 | 5LLT | DND | 10.5263 |
78 | 1NF8 | BOG | 10.5263 |
79 | 5J32 | IPM | 11.1111 |
80 | 3KP6 | SAL | 11.2583 |
81 | 6D59 | FVJ | 11.3772 |
82 | 2X3F | APC | 12.8655 |
83 | 4MGA | 27L | 12.8655 |
84 | 5WQJ | 7N3 | 14.0351 |
85 | 2BCG | GER | 14.6199 |
86 | 2X0K | PPV | 15.2047 |
87 | 1LSH | PLD | 15.7895 |
88 | 6BMN | PAP | 16.2712 |
89 | 5CHR | 4NC | 16.7883 |
90 | 4YP5 | NAP | 16.9591 |
91 | 4OGQ | 7PH | 17.5 |
92 | 1HBK | MYR | 17.9775 |
93 | 1F9A | ATP | 18.4524 |
94 | 1YUM | NCN | 20.4678 |
95 | 3MA0 | XYP | 20.4678 |
96 | 5IM3 | DTP | 20.4678 |
97 | 3ZIU | LSS | 22.2222 |
98 | 3KFL | ME8 | 24.5614 |
99 | 3AFH | GSU | 26.3158 |
100 | 1N1D | C2G | 27.1318 |
101 | 1K4M | NAD | 46.7836 |
This union binding pocket(no: 2) in the query (biounit: 3nd6.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2QQD | AG2 | None |
2 | 2D4N | DUP | 1.97368 |
3 | 4ETZ | C2E | 2.6936 |
4 | 5WHU | SIA GAL GLC | 3.3557 |
5 | 1VHZ | APR | 4.09357 |
6 | 5OLK | DTP | 4.09357 |
7 | 4IN9 | SER TRP PHE PRO | 4.21687 |
8 | 5V3Y | 5V8 | 4.67836 |
9 | 6E1Q | CFA | 5.26316 |
10 | 5LWY | OLB | 5.26316 |
11 | 4B2D | SER | 5.26316 |
12 | 5N26 | CPT | 5.26316 |
13 | 2WNF | CG3 A2G GAL | 5.84795 |
14 | 3K56 | IS3 | 5.84795 |
15 | 1QGQ | UDP | 6.43275 |
16 | 4LO2 | GAL BGC | 6.43275 |
17 | 2B4B | COA | 6.43275 |
18 | 2YLN | CYS | 7.60234 |
19 | 1S9D | AFB | 7.60234 |
20 | 1QO0 | BMD | 8.18713 |
21 | 2QJY | UQ2 | 9.35672 |
22 | 3GCM | 5GP | 9.7561 |
23 | 3U1T | MLI | 9.94152 |
24 | 5W3Y | IHP | 9.94152 |
25 | 5TDF | ADE | 11.1111 |
26 | 6CB2 | OLC | 11.1111 |
27 | 2NUN | ADP | 11.1111 |
28 | 1UO4 | PIH | 11.7647 |
29 | 5L6G | XYP | 16.3743 |
30 | 6EYT | NDG | 16.9591 |
31 | 1K4M | CIT | 46.7836 |
This union binding pocket(no: 3) in the query (biounit: 3nd6.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3AIH | BMA MAN MAN | 1.6129 |
2 | 5H4S | RAM | 1.75439 |
3 | 1VR0 | 3SL | 2.33918 |
4 | 3X01 | AMP | 2.92398 |
5 | 2V0C | LEU LMS | 2.92398 |
6 | 5WHU | SIA | 3.3557 |
7 | 2PID | YSA | 3.50877 |
8 | 2VCN | ISZ | 4.09357 |
9 | 4OKD | GLC GLC GLC | 4.09357 |
10 | 1M1B | SPV | 4.67836 |
11 | 2JFN | UMA | 4.91228 |
12 | 3RS8 | ALA TRP LEU PHE GLU ALA | 5.84795 |
13 | 1GPM | AMP | 7.60234 |
14 | 1YQC | GLV | 10 |
15 | 2XRH | NIO | 11 |
16 | 5XET | ME8 | 11.1111 |
17 | 2X1L | ADN | 11.6959 |
18 | 5TV6 | PML | 14.0351 |
This union binding pocket(no: 4) in the query (biounit: 3nd6.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4V1F | BQ1 | None |
2 | 5C1M | OLC | None |
3 | 5TVI | MYR | None |
4 | 6FHQ | DE5 | None |
5 | 5WSY | 7UC | None |
6 | 5MTE | BB2 | None |
7 | 4DW4 | U5P | None |
8 | 2CIX | CEJ | 1.75439 |
9 | 1XQP | 8HG | 1.75439 |
10 | 4UCC | ZKW | 2.92398 |
11 | 1XZ3 | ICF | 2.92398 |
12 | 2B6N | ALA PRO THR | 3.59712 |
13 | 1MID | LAP | 4.3956 |
14 | 4MRP | GSH | 4.67836 |
15 | 3G5K | BB2 | 4.67836 |
16 | 3AQT | RCO | 4.67836 |
17 | 3T03 | 3T0 | 4.67836 |
18 | 3RMK | BML | 5.26316 |
19 | 4J24 | EST | 5.26316 |
20 | 6BR9 | PGV | 5.26316 |
21 | 4J26 | EST | 5.26316 |
22 | 3MG9 | GHP 3MY 3FG GHP GHP OMY 3FG | 5.84795 |
23 | 5C9J | DAO | 6.06061 |
24 | 2RH1 | CLR | 6.43275 |
25 | 1M48 | FRG | 6.76692 |
26 | 5VRH | OLB | 7.01754 |
27 | 2D5X | L35 | 7.60234 |
28 | 4XWT | U5P | 7.60234 |
29 | 4V2O | CLQ | 8.53659 |
30 | 1XVB | 3BR | 9.94152 |
31 | 5W3X | IHP | 9.94152 |
32 | 1TV5 | N8E | 10.5263 |
33 | 3GF2 | SAL | 10.9589 |
34 | 5FUS | DAO | 11.1111 |
35 | 3RV5 | DXC | 11.236 |
36 | 6BVM | EBV | 11.3772 |
37 | 6BVK | EAV | 11.3772 |
38 | 6BVJ | EAS | 11.3772 |
39 | 3FAL | REA | 11.6959 |
40 | 1UO5 | PIH | 11.7647 |
41 | 5WGQ | EST | 12.2807 |
42 | 5DX3 | EST | 12.2807 |
43 | 4MG9 | 27K | 12.8655 |
44 | 5DXG | EST | 12.8655 |
45 | 4TV1 | 36M | 12.8655 |
46 | 5DXE | EST | 12.8655 |
47 | 2UW1 | GVM | 12.8655 |
48 | 2WOR | 2AN | 17 |
49 | 5ZCO | PEK | 17.3469 |
50 | 5Z84 | CHD | 17.3469 |
51 | 1ZEI | CRS | 22.6415 |
52 | 4F4S | EFO | 23.6842 |
This union binding pocket(no: 5) in the query (biounit: 3nd6.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3IWD | M2T | None |
2 | 5WHT | SIA GAL GLC | 3.62319 |
3 | 1B74 | DGN | 4.67836 |
4 | 4Q0A | 4OA | 4.67836 |
5 | 1A05 | IPM | 4.67836 |
6 | 3LDW | IPE | 5.26316 |
7 | 4G05 | JZ3 | 6.43275 |
8 | 3PN1 | IVH | 6.60377 |
9 | 1RZM | E4P | 9.94152 |
10 | 2QQC | AG2 | 13.2075 |