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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 5 families. | |||||
1 | 1N9G | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1N9G | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NAP | 1 | 1 |
2 | NA0 | 0.881356 | 0.986301 |
3 | TAP | 0.872881 | 0.934211 |
4 | NDO | 0.840336 | 0.972603 |
5 | NAD | 0.811966 | 0.986111 |
6 | N01 | 0.733871 | 0.958904 |
7 | A3D | 0.712 | 0.972603 |
8 | NBP | 0.707692 | 0.935065 |
9 | NHD | 0.68254 | 0.958904 |
10 | NJP | 0.661417 | 0.972973 |
11 | NFD | 0.658915 | 0.934211 |
12 | NXX | 0.619048 | 0.959459 |
13 | DND | 0.619048 | 0.959459 |
14 | AMP NAD | 0.606061 | 0.958904 |
15 | ZID | 0.605839 | 0.972603 |
16 | NAQ | 0.59854 | 0.922078 |
17 | ATR | 0.59292 | 0.917808 |
18 | NAE | 0.591241 | 0.946667 |
19 | NDE | 0.58042 | 0.986301 |
20 | A22 | 0.571429 | 0.958904 |
21 | NAJ | 0.567164 | 0.986111 |
22 | A2R | 0.563025 | 0.932432 |
23 | NDC | 0.561644 | 0.922078 |
24 | NA7 | 0.552846 | 0.907895 |
25 | ODP | 0.551471 | 0.935065 |
26 | A2P | 0.539823 | 0.930556 |
27 | 8ID | 0.537313 | 0.910256 |
28 | NPW | 0.525547 | 0.8875 |
29 | NZQ | 0.521739 | 0.910256 |
30 | CNA | 0.521739 | 0.959459 |
31 | NDP | 0.514493 | 0.922078 |
32 | PO4 PO4 A A A A PO4 | 0.503937 | 0.930556 |
33 | 1DG | 0.503401 | 0.922078 |
34 | DG1 | 0.503401 | 0.922078 |
35 | TXP | 0.5 | 0.922078 |
36 | NMN AMP PO4 | 0.492958 | 0.921053 |
37 | XNP | 0.492958 | 0.875 |
38 | 25L | 0.492308 | 0.958904 |
39 | 25A | 0.492063 | 0.972222 |
40 | NMN | 0.486726 | 0.888889 |
41 | NGD | 0.485714 | 0.935065 |
42 | 9JJ | 0.481707 | 0.8875 |
43 | 2AM | 0.477876 | 0.891892 |
44 | ADP | 0.458333 | 0.945205 |
45 | PAP | 0.451613 | 0.931507 |
46 | A2D | 0.445378 | 0.945205 |
47 | AN2 | 0.442623 | 0.932432 |
48 | 7L1 | 0.441558 | 0.777778 |
49 | ADP PO3 | 0.44 | 0.944444 |
50 | SAP | 0.44 | 0.896104 |
51 | AGS | 0.44 | 0.896104 |
52 | M33 | 0.439024 | 0.906667 |
53 | AR6 AR6 | 0.438849 | 0.945205 |
54 | BA3 | 0.438017 | 0.945205 |
55 | OAD | 0.43609 | 0.92 |
56 | ADP BMA | 0.43609 | 0.92 |
57 | DQV | 0.435714 | 0.958904 |
58 | HEJ | 0.435484 | 0.945205 |
59 | ATP | 0.435484 | 0.945205 |
60 | OOB | 0.435115 | 0.958904 |
61 | B4P | 0.434426 | 0.945205 |
62 | AP5 | 0.434426 | 0.945205 |
63 | GAP | 0.433071 | 0.92 |
64 | 0WD | 0.432432 | 0.922078 |
65 | 2A5 | 0.432 | 0.87013 |
66 | 5FA | 0.432 | 0.945205 |
67 | AQP | 0.432 | 0.945205 |
68 | AT4 | 0.430894 | 0.907895 |
69 | 00A | 0.428571 | 0.909091 |
70 | DAL AMP | 0.427481 | 0.932432 |
71 | CA0 | 0.427419 | 0.92 |
72 | ADP ALF | 0.426357 | 0.871795 |
73 | ALF ADP | 0.426357 | 0.871795 |
74 | 9X8 | 0.425373 | 0.871795 |
75 | ACP | 0.424 | 0.92 |
76 | NAJ PZO | 0.423841 | 0.897436 |
77 | 9SN | 0.423358 | 0.897436 |
78 | ADP VO4 | 0.423077 | 0.932432 |
79 | VO4 ADP | 0.423077 | 0.932432 |
80 | WAQ | 0.422222 | 0.884615 |
81 | V3L | 0.421875 | 0.945205 |
82 | ACQ | 0.421875 | 0.92 |
83 | ADQ | 0.421053 | 0.92 |
84 | AR6 | 0.420635 | 0.918919 |
85 | APR | 0.420635 | 0.918919 |
86 | ATP A A A | 0.42029 | 0.958333 |
87 | CO7 | 0.419753 | 0.786517 |
88 | 3OD | 0.419118 | 0.92 |
89 | 1ZZ | 0.419118 | 0.841463 |
90 | DLL | 0.41791 | 0.958904 |
91 | AD9 | 0.417323 | 0.92 |
92 | NAX | 0.416667 | 0.875 |
93 | OVE | 0.416667 | 0.857143 |
94 | MYR AMP | 0.416058 | 0.841463 |
95 | AV2 | 0.415385 | 0.868421 |
96 | A3P | 0.414634 | 0.944444 |
97 | NNR | 0.414414 | 0.72973 |
98 | OMR | 0.413793 | 0.831325 |
99 | 6YZ | 0.412214 | 0.92 |
100 | ANP | 0.410853 | 0.92 |
101 | A1R | 0.410448 | 0.860759 |
102 | ABM | 0.409836 | 0.893333 |
103 | A | 0.408333 | 0.944444 |
104 | AMP | 0.408333 | 0.944444 |
105 | SON | 0.408 | 0.933333 |
106 | PPS | 0.407692 | 0.829268 |
107 | 5AL | 0.407692 | 0.932432 |
108 | NAI | 0.406897 | 0.909091 |
109 | 7D3 | 0.406504 | 0.857143 |
110 | ADX | 0.404762 | 0.829268 |
111 | ATF | 0.40458 | 0.907895 |
112 | 3UK | 0.404412 | 0.945946 |
113 | TYR AMP | 0.404255 | 0.921053 |
114 | AMP DBH | 0.404255 | 0.894737 |
115 | 139 | 0.402685 | 0.875 |
116 | 50T | 0.401575 | 0.906667 |
117 | SRP | 0.401515 | 0.907895 |
118 | A A | 0.40146 | 0.972222 |
119 | B5V | 0.40146 | 0.933333 |
120 | A3R | 0.4 | 0.860759 |
121 | 3AM | 0.4 | 0.90411 |
122 | B5M | 0.4 | 0.921053 |
123 | FA5 | 0.4 | 0.933333 |
This union binding pocket(no: 1) in the query (biounit: 1n9g.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5UR0 | NAD | 1.14613 |
2 | 1LDM | NAD | 1.21581 |
3 | 1GZ4 | ATP | 1.5544 |
4 | 2HYV | UAP SGN IDS SGN IDS | 1.62338 |
5 | 4DPL | NAP | 1.67131 |
6 | 4RM0 | FUC NDG GAL | 1.89873 |
7 | 2VCN | ISZ | 1.91571 |
8 | 3SBZ | MLI | 1.98413 |
9 | 4MP8 | MLI | 2.0649 |
10 | 4MP8 | NAD | 2.0649 |
11 | 5NUE | NAD | 2.10843 |
12 | 5NUF | NAD | 2.10843 |
13 | 2GCG | NDP | 2.12121 |
14 | 1X7D | ORN | 2.28571 |
15 | 1X7D | NAD | 2.28571 |
16 | 1GPM | AMP | 2.33161 |
17 | 3B20 | NAD | 2.35988 |
18 | 3B1J | NAD | 2.35988 |
19 | 2O4C | NAD | 2.36842 |
20 | 5GZ6 | NDP | 2.45399 |
21 | 3ABI | NAD | 2.46575 |
22 | 1GV0 | NAD | 2.58065 |
23 | 1GUZ | NAD | 2.58065 |
24 | 5N2I | NAP | 2.58621 |
25 | 3NJ4 | NAD | 2.59067 |
26 | 3NJ4 | AFX | 2.59067 |
27 | 1U8X | NAD | 2.59067 |
28 | 3WBF | NAP | 2.62295 |
29 | 3WBF | API | 2.62295 |
30 | 2DBZ | NAP | 2.69461 |
31 | 9LDB | NAD | 2.71084 |
32 | 9LDT | NAD | 2.71084 |
33 | 5DN9 | NAD | 2.74725 |
34 | 2CVQ | NDP | 2.75229 |
35 | 1LUA | NAP | 2.78746 |
36 | 3OND | NAD | 2.84974 |
37 | 3OND | ADN | 2.84974 |
38 | 4XYB | NDP | 2.84974 |
39 | 5A1T | NAI | 2.93255 |
40 | 5A1T | OXM | 2.93255 |
41 | 4MDH | NAD | 2.99401 |
42 | 5MDH | NAD | 3.003 |
43 | 4ZVV | GN0 | 3.01205 |
44 | 4ZVV | NAD | 3.01205 |
45 | 4PLT | NAI | 3.02115 |
46 | 4PLT | OXM | 3.02115 |
47 | 1CER | NAD | 3.02115 |
48 | 5BU2 | AMP | 3.10881 |
49 | 2I3G | NAP | 3.125 |
50 | 5TC4 | NAD | 3.16456 |
51 | 1HYE | NAP | 3.19489 |
52 | 1TB4 | PEJ | 3.2345 |
53 | 1C3V | NDP | 3.26531 |
54 | 2YKX | AKG | 3.36788 |
55 | 1LOJ | URI | 3.44828 |
56 | 1LOJ | U | 3.44828 |
57 | 5YU3 | PRO | 3.48837 |
58 | 5YU3 | NAD | 3.48837 |
59 | 1VM6 | NAD | 3.50877 |
60 | 1UXG | FUM | 3.55987 |
61 | 1UXG | NAD | 3.55987 |
62 | 1DSS | NAD | 3.6036 |
63 | 4E5N | NAD | 3.63636 |
64 | 1SOW | NAD | 3.65854 |
65 | 1DNA | CB3 | 3.78788 |
66 | 1NCE | CB3 | 3.78788 |
67 | 1ZPR | CB3 | 3.78788 |
68 | 6CDZ | CB3 | 3.80228 |
69 | 4XMF | HSM | 3.80435 |
70 | 3WLE | NAD | 3.81232 |
71 | 2XYA | 7L4 | 3.84615 |
72 | 4J4H | 1J1 | 3.861 |
73 | 4J4H | NAI | 3.861 |
74 | 4JK3 | NAD | 3.861 |
75 | 3CIF | NAD | 3.89972 |
76 | 3CIF | G3H | 3.89972 |
77 | 1O6Z | NAD | 3.9604 |
78 | 4RQU | NAD | 4 |
79 | 1BG2 | ADP | 4 |
80 | 5ZI2 | NAD | 4.05797 |
81 | 5ZI2 | ADP | 4.05797 |
82 | 6BII | NAP | 4.14508 |
83 | 3CV2 | OXL | 4.14508 |
84 | 1CT9 | AMP | 4.14508 |
85 | 5KKA | 6V0 | 4.16667 |
86 | 4PLG | NAI | 4.19162 |
87 | 4PLG | OXM | 4.19162 |
88 | 1PZG | A3D | 4.22961 |
89 | 1R6N | 434 | 4.2654 |
90 | 2B4R | AES | 4.34783 |
91 | 2B4R | NAD | 4.34783 |
92 | 2CDC | XYP | 4.37158 |
93 | 2CDC | XYS | 4.37158 |
94 | 2CDC | NAP | 4.37158 |
95 | 4Y2B | EPK | 4.40415 |
96 | 1GQ2 | NAP | 4.40415 |
97 | 5VGS | 9A7 | 4.4586 |
98 | 3CMC | NAD | 4.49102 |
99 | 2P39 | SCR | 4.51613 |
100 | 4R5M | NAP | 4.52128 |
101 | 4R5M | 4NO | 4.52128 |
102 | 1LTH | NAD | 4.70219 |
103 | 1KEV | NDP | 4.8433 |
104 | 6DCH | CHT | 4.90798 |
105 | 1V8B | NAD | 4.92228 |
106 | 2ZJ1 | ARJ | 4.92228 |
107 | 2ZJ1 | NAD | 4.92228 |
108 | 6F3M | NAD | 4.92228 |
109 | 6F3N | NAD | 4.92228 |
110 | 6F3N | ADN | 4.92228 |
111 | 1OMO | NAD | 4.96894 |
112 | 5N6C | NAD | 5 |
113 | 1U1I | NAD | 5.18135 |
114 | 5Z20 | NAI | 5.21739 |
115 | 5YSI | NCA | 5.26316 |
116 | 6AC9 | ANP | 5.40541 |
117 | 5H81 | NAP | 5.44041 |
118 | 1RM0 | D6P | 5.44041 |
119 | 1RM0 | NAI | 5.44041 |
120 | 1H8P | PC | 5.50459 |
121 | 5AOV | NAP | 5.65476 |
122 | 1HKU | NAD | 5.86592 |
123 | 1YKF | NAP | 5.96591 |
124 | 2GZ3 | NAP | 6.01093 |
125 | 4YJ1 | ADP | 6.01626 |
126 | 3HGM | ATP | 6.12245 |
127 | 2DT5 | NAD | 6.16114 |
128 | 1EZ4 | NAD | 6.28931 |
129 | 2BQP | GLC | 6.41026 |
130 | 4EKQ | NPO | 6.41711 |
131 | 4BVA | T3 | 6.56716 |
132 | 4BVA | NDP | 6.56716 |
133 | 4NTX | AMR | 6.72269 |
134 | 1DKF | OLA | 6.80851 |
135 | 3H9E | NAD | 6.93642 |
136 | 1NVM | NAD | 7.05128 |
137 | 1J0X | NAD | 7.22892 |
138 | 5HZ9 | 5M8 | 7.40741 |
139 | 3KB6 | NAD | 7.48503 |
140 | 2GSD | NAD | 7.51295 |
141 | 5M67 | NAD | 7.51295 |
142 | 5M67 | ADE | 7.51295 |
143 | 5M67 | 3D1 | 7.51295 |
144 | 3BAZ | NAP | 7.80781 |
145 | 2VYN | NAD | 7.85498 |
146 | 1GAD | NAD | 7.87879 |
147 | 1OFS | SUC | 8.33333 |
148 | 1R37 | NAD | 8.35735 |
149 | 5Z21 | NAI | 8.65922 |
150 | 1T26 | GBD | 8.69565 |
151 | 1T26 | NAI | 8.69565 |
152 | 2A92 | NAI | 8.72274 |
153 | 3TWO | NDP | 8.90805 |
154 | 4LH7 | 1X8 | 8.97833 |
155 | 2NAD | NAD | 9.06736 |
156 | 3V1Y | NAD | 9.19881 |
157 | 1CDO | NAD | 9.35829 |
158 | 2JHF | NAD | 10.1604 |
159 | 5Z2F | NAP | 10.1887 |
160 | 1KOL | NAD | 10.6218 |
161 | 1D1T | NAD | 10.7239 |
162 | 3ORF | NAD | 10.757 |
163 | 1P0F | NAP | 10.992 |
164 | 1E3I | CXF | 11.4362 |
165 | 1F06 | NDP | 11.5625 |
166 | 1F06 | 2NP | 11.5625 |
167 | 1U3U | BNF | 11.7647 |
168 | 1U3U | NAD | 11.7647 |
169 | 2DFV | NAD | 12.1037 |
170 | 5LV1 | 78T | 12.1429 |
171 | 2FZW | NAD | 12.6005 |
172 | 2B5W | NAP | 12.8852 |
173 | 3GFB | NAD | 13.1429 |
174 | 1B8U | OAA | 14.2857 |
175 | 1B8U | NAD | 14.2857 |
176 | 4Y1B | NAP | 14.8235 |
177 | 1F8F | NAD | 15.0943 |
178 | 1YQD | NAP | 15.3005 |
179 | 5FI3 | NAP | 16.5266 |
180 | 4Z0H | NAD | 17.3653 |
181 | 4GKV | NAD | 19.9405 |
182 | 4W6Z | 8ID | 21.3256 |
183 | 1YB5 | NAP | 23.3618 |
184 | 5VKT | NAP | 23.7569 |
185 | 5DOZ | NDP | 24.5562 |
186 | 4JBI | NDP | 24.5946 |
187 | 3JYN | NDP | 25.5385 |
188 | 3B6Z | CO7 | 25.876 |
189 | 2ZB4 | NAP | 26.6106 |
190 | 2ZB4 | 5OP | 26.6106 |
191 | 4A0S | NAP | 26.6839 |
192 | 4RVU | NDP | 27.1084 |
193 | 2DM6 | NAP | 28.2282 |
194 | 2DM6 | IMN | 28.2282 |
195 | 5DP2 | NAP | 28.655 |
196 | 4B7X | NAP | 29.1667 |
197 | 1PL6 | 572 | 29.2135 |
198 | 1PL6 | NAD | 29.2135 |
199 | 5O9F | NAD | 30.1136 |
200 | 5O9F | 9ON | 30.1136 |
201 | 3QWB | NDP | 31.4371 |
202 | 5EIN | NAP | 33.3333 |
203 | 1LLU | NAD | 34.7953 |
204 | 2J8Z | NAP | 35.5932 |
205 | 1H2B | NAJ | 37.3259 |
206 | 2ZB3 | NDP | 40.4145 |
207 | 4IDC | NDP | 40.6627 |
208 | 4IDC | 1XX | 40.6627 |
This union binding pocket(no: 2) in the query (biounit: 1n9g.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6CEP | OXM | 1.49701 |
2 | 6CEP | NAD | 1.49701 |
3 | 1SC6 | NAD | 1.81347 |
4 | 4XQC | 13D | 1.81347 |
5 | 3I6I | NDP | 2.02312 |
6 | 1VKO | NAD | 2.07254 |
7 | 1RM4 | NDP | 2.07715 |
8 | 1SAY | PYR | 2.21607 |
9 | 5TOW | NAI | 2.33161 |
10 | 5TOW | ADN | 2.33161 |
11 | 4B1V | LAB | 2.39362 |
12 | 1GR0 | NAD | 2.45232 |
13 | 5GZ6 | 7C3 | 2.45399 |
14 | 1Q19 | SSC | 2.59067 |
15 | 1BXG | NAD | 2.80899 |
16 | 1C1X | NAD | 2.8169 |
17 | 4ZGS | NAD | 2.84974 |
18 | 1E5Q | NDP | 2.84974 |
19 | 1DIG | L37 | 2.94118 |
20 | 1DIG | NAP | 2.94118 |
21 | 1HDG | NAD | 3.01205 |
22 | 2FR1 | NDP | 3.08642 |
23 | 2QRK | AMP | 3.10881 |
24 | 2Q46 | NAP | 3.16206 |
25 | 5CAD | PCA | 3.36788 |
26 | 2VHW | NAI | 3.71353 |
27 | 3W68 | 4PT | 3.7594 |
28 | 4UP4 | GAL NAG | 4.14508 |
29 | 6F90 | MVL | 4.14508 |
30 | 5ZZB | LAB | 4.41176 |
31 | 5CX8 | RP3 | 4.92228 |
32 | 5X9D | 80F | 4.93421 |
33 | 3C1O | NAP | 4.98442 |
34 | 1LDN | NAD | 5.06329 |
35 | 1J49 | NAD | 5.1051 |
36 | 1HYH | NAD | 5.17799 |
37 | 4XB2 | HSE | 5.37313 |
38 | 4XB2 | NDP | 5.37313 |
39 | 5G4L | NDP | 5.94406 |
40 | 5OJY | CIT | 6.29921 |
41 | 1EBF | NAD | 6.42458 |
42 | 5MB4 | NAG | 6.73575 |
43 | 1T0S | BML | 6.97674 |
44 | 6F92 | MVL | 6.99482 |
45 | 1PGP | 6PG | 6.99482 |
46 | 5N8V | KZZ | 7.24638 |
47 | 3DTU | DXC | 7.51295 |
48 | 4OOE | NDP | 7.51295 |
49 | 4OOE | FOM | 7.51295 |
50 | 2BKA | NDP | 7.85124 |
51 | 3MN5 | LAB | 7.89474 |
52 | 2AJH | MET | 8.16327 |
53 | 4FK7 | P34 | 8.73362 |
54 | 3KO0 | TFP | 9.90099 |
55 | 3VPH | NAD | 11.9355 |
56 | 3VPH | OXM | 11.9355 |
57 | 3UB7 | ACM | 15.4696 |
58 | 1HDR | NAD | 15.5738 |
This union binding pocket(no: 3) in the query (biounit: 1n9g.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5ZXD | ATP | 1.29534 |
2 | 5HSS | 650 | 1.34771 |
3 | 2WVZ | KIF | 1.5544 |
4 | 3LRE | ADP | 1.69014 |
5 | 4YIW | NCD | 1.81347 |
6 | 1LCF | OXL | 1.81347 |
7 | 1YS4 | NAP | 1.9774 |
8 | 2Y65 | ADP | 2.19178 |
9 | 4B1W | LAB | 2.39362 |
10 | 2JL1 | NAP | 2.43902 |
11 | 2KIN | ADP | 2.52101 |
12 | 3COB | ADP | 2.71003 |
13 | 3AI3 | SOL | 3.04183 |
14 | 2J5S | KTA | 3.04183 |
15 | 4H4D | 10E | 3.09598 |
16 | 3E4O | SIN | 3.60656 |
17 | 3N2O | AG2 | 3.62694 |
18 | 3H4S | ADP | 3.7037 |
19 | 3I7S | PYR | 4.10959 |
20 | 1KC7 | PPR | 4.14508 |
21 | 6EXS | C3H | 4.14508 |
22 | 3B8I | OXL | 4.18118 |
23 | 5VGS | 9A4 | 4.4586 |
24 | 3LL9 | ADP | 4.46097 |
25 | 5NM7 | GLY | 4.51128 |
26 | 2D2F | ADP | 4.8 |
27 | 1SZO | CAX | 5.05837 |
28 | 5CSS | G3P | 5.30973 |
29 | 4G8R | 96P | 5.31915 |
30 | 4GN8 | ASO | 5.35117 |
31 | 2ZWI | C5P | 5.36193 |
32 | 4PPF | FLC | 5.42857 |
33 | 4IA6 | EIC | 5.44041 |
34 | 6CB2 | OLC | 5.46075 |
35 | 4HNN | LYS | 5.49133 |
36 | 2Y7P | SAL | 5.50459 |
37 | 1GOJ | ADP | 5.91549 |
38 | 1TZD | ADP | 6.18182 |
39 | 4GA6 | AMP | 6.21762 |
40 | 4L9Z | OXL | 7.07965 |
41 | 2VVG | ADP | 7.14286 |
42 | 5J47 | 6JJ | 7.25806 |
43 | 5EES | NAP | 7.28745 |
44 | 1YQT | ADP | 7.51295 |
45 | 3S5W | ONH | 7.77202 |
46 | 4M3P | HCS | 10.3627 |
47 | 1JN2 | SFP | 10.9705 |
48 | 3CH6 | 311 | 12.9371 |
49 | 3CH6 | NAP | 12.9371 |
50 | 5C1M | CLR | 14.4 |
51 | 5VNB | ALA THR ALY ALA ALA ARG ALY SER ALA PRO | 14.8649 |
52 | 5ZCO | CHD | 15.2941 |
53 | 2V7Q | ADP | 20 |