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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 13 families. | |||||
1 | 3PNA | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 10 families. | |||||
1 | 3PNA | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
2 | 1NE6 | - | SP1 | C10 H12 N5 O5 P S | c1nc(c2c(n.... |
3 | 1NE4 | - | RP1 | C10 H12 N5 O5 P S | c1nc(c2c(n.... |
4 | 5KBF | Kd = 1.2 nM | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2BA | 1 | 0.984848 |
2 | CMP | 1 | 1 |
3 | RP1 | 0.757143 | 0.928571 |
4 | SP1 | 0.757143 | 0.928571 |
5 | 1YD | 0.727273 | 0.902778 |
6 | 4BW | 0.727273 | 0.902778 |
7 | 1SY | 0.653061 | 0.902778 |
8 | 1OR | 0.635294 | 0.807692 |
9 | 4UR | 0.626263 | 0.902778 |
10 | 7CH | 0.580247 | 0.984615 |
11 | 6SX | 0.573171 | 0.953846 |
12 | 6SZ | 0.559524 | 0.984848 |
13 | N6R | 0.535354 | 0.914286 |
14 | N6S | 0.535354 | 0.914286 |
15 | PCG | 0.534091 | 0.888889 |
16 | 35G | 0.534091 | 0.888889 |
17 | C2E | 0.534091 | 0.902778 |
18 | 1YC | 0.53 | 0.875 |
19 | Y3J | 0.506667 | 0.753623 |
20 | XYA | 0.5 | 0.826087 |
21 | 5CD | 0.5 | 0.811594 |
22 | ACK | 0.5 | 0.897059 |
23 | RAB | 0.5 | 0.826087 |
24 | ADN | 0.5 | 0.826087 |
25 | 6SW | 0.494382 | 0.9 |
26 | 5AD | 0.493151 | 0.776119 |
27 | 5N5 | 0.486842 | 0.8 |
28 | 75G | 0.483146 | 0.890411 |
29 | A4D | 0.480519 | 0.8 |
30 | M2T | 0.475 | 0.736842 |
31 | MTA | 0.469136 | 0.777778 |
32 | CC5 | 0.466667 | 0.850746 |
33 | EP4 | 0.4625 | 0.756757 |
34 | DTA | 0.45679 | 0.816901 |
35 | QQX | 0.452381 | 0.835616 |
36 | LMS | 0.447059 | 0.7875 |
37 | AMP | 0.447059 | 0.927536 |
38 | QQY | 0.447059 | 0.847222 |
39 | A | 0.447059 | 0.927536 |
40 | 3DH | 0.440476 | 0.777778 |
41 | 3AM | 0.435294 | 0.913043 |
42 | A2D | 0.431818 | 0.928571 |
43 | J7C | 0.431818 | 0.75 |
44 | ABM | 0.431818 | 0.901408 |
45 | ZAS | 0.430233 | 0.77027 |
46 | 7D7 | 0.428571 | 0.771429 |
47 | S4M | 0.426966 | 0.666667 |
48 | SRA | 0.425287 | 0.876712 |
49 | 6RE | 0.425287 | 0.74026 |
50 | 3AD | 0.425 | 0.838235 |
51 | 2AM | 0.423529 | 0.9 |
52 | BA3 | 0.422222 | 0.928571 |
53 | A12 | 0.422222 | 0.864865 |
54 | AP2 | 0.422222 | 0.864865 |
55 | MAO | 0.422222 | 0.740741 |
56 | DSH | 0.420455 | 0.727273 |
57 | NEC | 0.420455 | 0.726027 |
58 | AOC | 0.420455 | 0.802817 |
59 | A3G | 0.420455 | 0.780822 |
60 | SFG | 0.419355 | 0.753425 |
61 | 6JR | 0.419048 | 0.927536 |
62 | ADP | 0.417582 | 0.901408 |
63 | AP5 | 0.417582 | 0.928571 |
64 | 5AS | 0.417582 | 0.741176 |
65 | B4P | 0.417582 | 0.928571 |
66 | A3N | 0.41573 | 0.767123 |
67 | APC | 0.414894 | 0.864865 |
68 | AN2 | 0.413043 | 0.888889 |
69 | SON | 0.413043 | 0.864865 |
70 | AT4 | 0.413043 | 0.864865 |
71 | EEM | 0.412371 | 0.691358 |
72 | GJV | 0.411111 | 0.730769 |
73 | GGZ | 0.41 | 0.78481 |
74 | OVE | 0.409091 | 0.863014 |
75 | M33 | 0.408602 | 0.888889 |
76 | ADX | 0.408602 | 0.810127 |
77 | AU1 | 0.408602 | 0.876712 |
78 | CA0 | 0.408602 | 0.876712 |
79 | A3P | 0.406593 | 0.927536 |
80 | 5X8 | 0.404255 | 0.767123 |
81 | ATP | 0.404255 | 0.901408 |
82 | ACP | 0.404255 | 0.876712 |
83 | HEJ | 0.404255 | 0.901408 |
84 | 50T | 0.404255 | 0.888889 |
85 | ADP VO4 | 0.40404 | 0.888889 |
86 | VO4 ADP | 0.40404 | 0.888889 |
87 | SAM | 0.402062 | 0.691358 |
88 | 0UM | 0.401961 | 0.7 |
89 | AR6 | 0.4 | 0.901408 |
90 | AQP | 0.4 | 0.901408 |
91 | 5FA | 0.4 | 0.901408 |
92 | APR | 0.4 | 0.901408 |
93 | PRX | 0.4 | 0.876712 |
This union binding pocket(no: 1) in the query (biounit: 3pna.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2WLG | SOP | None |
2 | 1BZY | IMU | None |
3 | 5ML3 | DL3 | None |
4 | 2D6M | LBT | None |
5 | 4WN5 | MVC | None |
6 | 3NWQ | 2NC | None |
7 | 2YJ0 | 420 | None |
8 | 4MZQ | 1VU | None |
9 | 4RYV | ZEA | None |
10 | 3KA2 | 2NC | 1.2987 |
11 | 4N9I | PCG | 1.94805 |
12 | 3E7O | 35F | 1.94805 |
13 | 3CRZ | NAP | 1.94805 |
14 | 1RE8 | BD2 | 1.94805 |
15 | 1WVC | CTP | 1.94805 |
16 | 5HA0 | LTD | 1.94805 |
17 | 3MTX | PGT | 1.98676 |
18 | 5DEY | 59T | 2.5974 |
19 | 1PN0 | IPH | 2.5974 |
20 | 1WW5 | SGA BGC | 2.5974 |
21 | 1NJR | XYL | 2.5974 |
22 | 5CFT | 51G | 2.5974 |
23 | 4YLZ | LAT NAG GAL | 2.61438 |
24 | 4YZC | STU | 3.24675 |
25 | 4P5Z | Q7M | 3.24675 |
26 | 3M3E | GAL A2G NPO | 3.24675 |
27 | 2BPM | 529 | 3.24675 |
28 | 4Z87 | GDP | 3.24675 |
29 | 3WV6 | GAL BGC | 3.24675 |
30 | 3CB2 | GDP | 3.24675 |
31 | 1PZG | A3D | 3.24675 |
32 | 5DQ8 | FLF | 3.33333 |
33 | 3NV3 | GAL NAG MAN | 3.62319 |
34 | 1RQ2 | CIT | 3.66492 |
35 | 4NFN | 2KC | 3.8961 |
36 | 5H4J | FKM | 3.8961 |
37 | 4P25 | FUC GAL NAG FUC | 3.8961 |
38 | 3DAK | ANP | 3.8961 |
39 | 4CRL | C1I | 3.8961 |
40 | 1RJW | ETF | 3.8961 |
41 | 3RFV | 15L | 3.8961 |
42 | 2GJ5 | VD3 | 3.8961 |
43 | 1U1I | NAD | 3.8961 |
44 | 4BTK | DTQ | 3.8961 |
45 | 1I00 | UMP | 3.8961 |
46 | 1I00 | D16 | 3.8961 |
47 | 4M69 | ANP | 3.8961 |
48 | 5TBM | 79A | 4.34783 |
49 | 4M0R | 644 | 4.48549 |
50 | 5JKG | 6LF | 4.54545 |
51 | 4G31 | 0WH | 4.54545 |
52 | 5UR1 | YY9 | 4.54545 |
53 | 2PVN | P63 | 4.54545 |
54 | 2J5V | PCA | 4.54545 |
55 | 1ZB6 | DIN | 4.54545 |
56 | 4PLG | OXM | 4.54545 |
57 | 4PLG | NAI | 4.54545 |
58 | 1T26 | GBD | 4.54545 |
59 | 1T26 | NAI | 4.54545 |
60 | 6APV | 3L4 | 4.54545 |
61 | 3ABA | FLI | 4.54545 |
62 | 3WXM | GTP | 4.54545 |
63 | 1IT7 | GUN | 4.54545 |
64 | 3MWS | 017 | 5.05051 |
65 | 2X2M | X2M | 5.19481 |
66 | 3RWP | ABQ | 5.19481 |
67 | 6CZ3 | FLJ | 5.19481 |
68 | 5H2U | 1N1 | 5.19481 |
69 | 4C2V | YJA | 5.19481 |
70 | 6GIN | IR2 | 5.19481 |
71 | 4YGF | AZM | 5.19481 |
72 | 6DZN | AE3 | 5.19481 |
73 | 3OZ2 | OZ2 | 5.19481 |
74 | 1RYO | OXL | 5.19481 |
75 | 3V8S | 0HD | 5.19481 |
76 | 4PLT | NAI | 5.19481 |
77 | 4PLT | OXM | 5.19481 |
78 | 4R5Z | PMP | 5.19481 |
79 | 4UXL | 5P8 | 5.2795 |
80 | 5KEW | 6SB | 5.55556 |
81 | 5K21 | 6QF | 5.67376 |
82 | 4Y8D | 49J | 5.84416 |
83 | 5QIN | J2V | 5.84416 |
84 | 4WW8 | VD9 | 5.84416 |
85 | 2JLD | AG1 | 5.84416 |
86 | 5TO8 | 7FM | 5.84416 |
87 | 3PP0 | 03Q | 5.84416 |
88 | 2X34 | UQ8 | 5.84416 |
89 | 2EQA | AMP | 5.84416 |
90 | 3W0O | HY0 | 5.84416 |
91 | 3W0O | ADP | 5.84416 |
92 | 3ZRM | ZRM | 5.84416 |
93 | 6GWR | FEW | 5.84416 |
94 | 4CS9 | AMP | 5.84416 |
95 | 3F7Z | 34O | 5.84416 |
96 | 5E2N | V14 | 6.49351 |
97 | 3RG9 | WRA | 6.49351 |
98 | 3RG9 | NDP | 6.49351 |
99 | 3TTC | ADP | 6.49351 |
100 | 3EYA | TDP | 6.49351 |
101 | 4UTG | ANP | 6.49351 |
102 | 5FKP | 6UL | 6.49351 |
103 | 1WD4 | AHR | 6.49351 |
104 | 4X1B | MLI | 6.49351 |
105 | 4GAH | 0ET | 6.49351 |
106 | 3HZT | J60 | 6.49351 |
107 | 1T90 | NAD | 6.49351 |
108 | 2CYE | COA | 6.76692 |
109 | 5HES | 032 | 7.14286 |
110 | 1ZQ5 | E04 | 7.14286 |
111 | 1ZQ5 | NAP | 7.14286 |
112 | 4D52 | GXL | 7.14286 |
113 | 2Y8L | ADP | 7.14286 |
114 | 2V92 | ATP | 7.14286 |
115 | 2V92 | AMP | 7.14286 |
116 | 3V66 | D3A | 7.14286 |
117 | 4O1P | ANP | 7.14286 |
118 | 3VBK | COA | 7.14286 |
119 | 3VBK | 0FX | 7.14286 |
120 | 4M3P | HCS | 7.14286 |
121 | 4D52 | GIV | 7.14286 |
122 | 5E5U | MLT | 7.14286 |
123 | 4D4U | FUC GAL | 7.14286 |
124 | 1VPM | COA | 7.14286 |
125 | 1Q8Y | ADE | 7.14286 |
126 | 1Q19 | SSC | 7.14286 |
127 | 1KRR | ACO | 7.14286 |
128 | 6BXI | ANP | 7.14286 |
129 | 4LNU | GDP | 7.5388 |
130 | 5ITZ | GDP | 7.5388 |
131 | 5EIB | GTP | 7.5388 |
132 | 5FBN | 5WF | 7.79221 |
133 | 4CQE | CQE | 7.79221 |
134 | 1OFZ | FUL | 7.79221 |
135 | 1RRC | ADP | 7.79221 |
136 | 3CY2 | MB9 | 7.79221 |
137 | 6ES0 | BW8 | 7.79221 |
138 | 3SXS | PP2 | 8.44156 |
139 | 3THR | C2F | 8.44156 |
140 | 1KQF | MGD | 8.44156 |
141 | 1G8K | MGD | 8.44156 |
142 | 4USF | 6UI | 8.44156 |
143 | 3VPD | ANP | 8.44156 |
144 | 2V7O | DRN | 8.44156 |
145 | 4Y7U | 2KH | 8.44156 |
146 | 5ECP | ATP | 8.44156 |
147 | 3FPZ | AHZ | 8.44156 |
148 | 5ECP | JAA | 8.44156 |
149 | 5ECP | MET | 8.44156 |
150 | 4ZU4 | 4TG | 8.78378 |
151 | 3G5D | 1N1 | 9.09091 |
152 | 3VRY | B43 | 9.09091 |
153 | 2HK5 | 1BM | 9.09091 |
154 | 2OFV | 242 | 9.09091 |
155 | 3FW3 | ETS | 9.09091 |
156 | 4X7Q | 3YR | 9.09091 |
157 | 5GLT | BGC GAL NAG GAL | 9.09091 |
158 | 3NTY | NAP | 9.09091 |
159 | 3NTY | 5P3 | 9.09091 |
160 | 3HXU | A5A | 9.09091 |
161 | 2VN9 | GVD | 9.09091 |
162 | 4Z7X | 3CX | 9.74026 |
163 | 5EO8 | TFU | 9.74026 |
164 | 5MJA | 7O3 | 9.74026 |
165 | 2X32 | OTP | 9.74026 |
166 | 4EUU | BX7 | 9.74026 |
167 | 5B48 | TDN | 9.74026 |
168 | 5JFS | 6K0 | 10.3896 |
169 | 5N87 | N66 | 10.3896 |
170 | 2BL9 | NDP | 10.3896 |
171 | 4OAV | ACP | 10.3896 |
172 | 1LSH | PLD | 10.3896 |
173 | 5EH0 | 5NW | 10.3896 |
174 | 2BL9 | CP6 | 10.3896 |
175 | 2HJR | APR | 10.3896 |
176 | 1R27 | MGD | 10.3896 |
177 | 2F1K | NAP | 10.3896 |
178 | 4AG8 | AXI | 11.039 |
179 | 4ASE | AV9 | 11.039 |
180 | 3VHE | 42Q | 11.039 |
181 | 1YZX | GSF | 11.039 |
182 | 2CWH | NDP | 11.039 |
183 | 5U98 | 1KX | 11.1111 |
184 | 1IDA | 0PO | 11.1111 |
185 | 1SIV | PSI | 11.1111 |
186 | 3L9R | L9R | 11.2245 |
187 | 1FMB | HYB | 11.5385 |
188 | 1DMR | PGD | 11.6883 |
189 | 5KOX | RFP | 11.6883 |
190 | 3FGC | FMN | 11.6883 |
191 | 6FNU | FAD | 11.6883 |
192 | 3NOJ | PYR | 11.6883 |
193 | 1OPK | P16 | 12.3377 |
194 | 6A1G | 9OL | 12.3377 |
195 | 3CKJ | CIT | 12.3377 |
196 | 5UC4 | 83S | 12.3377 |
197 | 4HXY | NDP | 12.3377 |
198 | 2D4V | NAD | 12.3377 |
199 | 1GR0 | NAD | 12.3377 |
200 | 4CSV | STI | 12.987 |
201 | 3FPF | TNA | 13.6364 |
202 | 3FPF | MTA | 13.6364 |
203 | 1KGQ | SCO | 13.6364 |
204 | 1KGQ | NPI | 13.6364 |
205 | 6FCX | FAD | 13.6364 |
206 | 5WS9 | AMP | 13.6364 |
207 | 5VC5 | 96M | 14.2857 |
208 | 2IGA | XX2 | 14.2857 |
209 | 2IGA | XX3 | 14.2857 |
210 | 4YEE | 4CQ | 14.4444 |
211 | 3RUG | DB6 | 14.9351 |
212 | 3QUZ | QUV | 15.5844 |
213 | 5XLY | C2E | 15.5844 |
214 | 5Y4R | C2E | 15.5844 |
215 | 5K2M | ADP | 16.2338 |
216 | 3EEL | 53T | 16.2338 |
217 | 5DK4 | ATP | 16.8831 |
218 | 5LXT | ACP | 18.1818 |
219 | 4MOB | COA | 18.1818 |
220 | 5W4W | 9WG | 18.8312 |
221 | 4KBA | 1QM | 18.8312 |
222 | 3APT | FAD | 18.8312 |
223 | 1H0H | 2MD | 20.1299 |
224 | 1OUK | 084 | 20.7792 |
225 | 4LOO | SB4 | 20.7792 |
226 | 3DLG | GWE | 20.7792 |
227 | 4ZW3 | 4S9 | 20.7792 |
228 | 1T9D | P22 | 23.3766 |
229 | 3LA3 | 2FT | 25.974 |
230 | 2XKO | AKG | 26.6234 |
231 | 2XHK | AKG | 26.6234 |
232 | 4AVB | CMP | 27.2727 |
233 | 2WEI | VGG | 27.9221 |
234 | 2PTM | CMP | 29.2208 |
235 | 4CYD | CMP | 29.2208 |
236 | 3I59 | N6S | 31.1688 |
237 | 3I59 | N6R | 31.1688 |
238 | 3I54 | CMP | 31.1688 |
239 | 5H5O | PCG | 32.5581 |
240 | 3KCC | CMP | 33.1169 |
241 | 4KU7 | PCG | 34.6405 |
242 | 4NVP | 7CH | 35.0649 |
243 | 4MUV | PCG | 35.2113 |
244 | 3CF6 | SP1 | 36.3636 |
245 | 5BV6 | 35G | 38.1579 |
246 | 5KJZ | PCG | 38.6667 |
247 | 5JAX | 6J7 | 39.2593 |
248 | 5K8S | CMP | 39.8649 |
249 | 3SHR | CMP | 44.1558 |
250 | 4OFG | PCG | 45.1389 |
This union binding pocket(no: 2) in the query (biounit: 3pna.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2P3B | 3TL | None |
2 | 3FSM | 2NC | 1.2987 |
3 | 3VV1 | GAL FUC | 1.94805 |
4 | 1MHC | FME TYR PHE ILE ASN ILE LEU THR LEU | 1.94805 |
5 | 5TG5 | JW8 | 1.94805 |
6 | 1PN0 | FAD | 2.5974 |
7 | 1H6W | SER LEU ASN TYR ILE ILE LYS VAL LYS GLU | 2.5974 |
8 | 5CFT | APC | 2.5974 |
9 | 6FA4 | D1W | 2.5974 |
10 | 2XK9 | XK9 | 3.24675 |
11 | 2V3V | MGD | 3.24675 |
12 | 3CTL | S6P | 3.24675 |
13 | 1LN1 | DLP | 3.24675 |
14 | 3OZG | SSI | 3.24675 |
15 | 1IS3 | LAT | 3.7037 |
16 | 4QMN | DB8 | 3.8961 |
17 | 3MQG | ACO | 3.8961 |
18 | 2YQS | UD1 | 3.8961 |
19 | 4Y0X | ADP | 4.26667 |
20 | 5HCY | 60D | 4.54545 |
21 | 2RBK | VN4 | 4.54545 |
22 | 5KBZ | 3B2 | 4.54545 |
23 | 5Y80 | IRE | 4.72973 |
24 | 2YAK | OSV | 5.19481 |
25 | 4GUT | FAD | 5.19481 |
26 | 5F2T | PLM | 5.19481 |
27 | 3WCZ | NAP | 5.19481 |
28 | 3VPC | ADP | 5.19481 |
29 | 4Z1D | PEP | 5.19481 |
30 | 1FRB | ZST | 5.84416 |
31 | 2FXV | 5GP | 5.84416 |
32 | 4QTB | 38Z | 6.49351 |
33 | 5AHW | CMP | 6.80272 |
34 | 1PK8 | ATP | 7.14286 |
35 | 4OB6 | S2T | 7.14286 |
36 | 4WOE | 3S5 | 7.79221 |
37 | 2ZZV | LAC | 7.79221 |
38 | 4MZU | COA | 8.44156 |
39 | 3A76 | SPD | 8.44156 |
40 | 2H8H | H8H | 9.09091 |
41 | 5T2Y | 753 | 9.09091 |
42 | 1P9P | SAH | 9.74026 |
43 | 1ELI | PYC | 10.3896 |
44 | 5T8O | 76Z | 11.039 |
45 | 2CWH | PYC | 11.039 |
46 | 5WL1 | CUY | 11.1111 |
47 | 5WL1 | D3D | 11.1111 |
48 | 4F7E | 0SH | 11.2245 |
49 | 1A78 | TDG | 11.9403 |
50 | 4JGT | PYR | 12.3377 |
51 | 2PZI | AXX | 17.5325 |
52 | 1QXA | GLY GLY GLY | 17.5325 |
53 | 4FG8 | ATP | 18.1818 |
54 | 3G5N | PB2 | 22.7273 |
This union binding pocket(no: 4) in the query (biounit: 3pna.bio3) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 3pna.bio3) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |