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Receptor
PDB id Resolution Class Description Source Keywords
1J1R 1.9 Å EC: 3.2.2.22 STRUCTURE OF POKEWEED ANTIVIRAL PROTEIN FROM SEEDS (PAP-S1) WITH ADENINE PHYTOLACCA AMERICANA POKEWEED ANTIVIRAL PROTEIN N-GLYCOSIDASE RIBOSOME-INACTIVAPROTEIN HYDROLASE
Ref.: CRYSTAL STRUCTURE OF POKWEED ANTIVIRAL PROTEIN FROM (PAP-S1) AT 1.8 ANGSTROM RESOLUTION TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADE A:701;
Valid;
none;
submit data
135.127 C5 H5 N5 c1[nH...
NAG A:601;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1J1R 1.9 Å EC: 3.2.2.22 STRUCTURE OF POKEWEED ANTIVIRAL PROTEIN FROM SEEDS (PAP-S1) WITH ADENINE PHYTOLACCA AMERICANA POKEWEED ANTIVIRAL PROTEIN N-GLYCOSIDASE RIBOSOME-INACTIVAPROTEIN HYDROLASE
Ref.: CRYSTAL STRUCTURE OF POKWEED ANTIVIRAL PROTEIN FROM (PAP-S1) AT 1.8 ANGSTROM RESOLUTION TO BE PUBLISHED
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1J1R - ADE C5 H5 N5 c1[nH]c2c(....
2 1J1S - FMP C10 H14 N5 O7 P c1nc2c(c(n....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2QES - ADE C5 H5 N5 c1[nH]c2c(....
2 2QET - ADE C5 H5 N5 c1[nH]c2c(....
3 1J1R - ADE C5 H5 N5 c1[nH]c2c(....
4 1J1S - FMP C10 H14 N5 O7 P c1nc2c(c(n....
5 1D6A - GUN C5 H5 N5 O c1[nH]c2c(....
6 1QCJ - APT C14 H13 N6 O3 c1cc(ccc1C....
7 1QCI - ADE C5 H5 N5 c1[nH]c2c(....
8 3LE7 - ADE C5 H5 N5 c1[nH]c2c(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2QES - ADE C5 H5 N5 c1[nH]c2c(....
2 1LPD - ADE C5 H5 N5 c1[nH]c2c(....
3 1J1R - ADE C5 H5 N5 c1[nH]c2c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1J1R; Ligand: ADE; Similar sites found with APoc: 234
This union binding pocket(no: 1) in the query (biounit: 1j1r.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2GJ8 ALF GDP None
2 1R6N 434 None
3 3D04 SAK None
4 4EOX 0S5 None
5 2BOS GLA GAL GLC None
6 4QJR PIZ None
7 1ZDT PEF None
8 2BOS GLA GAL None
9 1ECM TSA None
10 4XU6 TDA 0.952381
11 4DR9 BB2 1.04167
12 4Q0A 4OA 1.14943
13 3LCV SAM 1.14943
14 3AQT RCO 1.22449
15 2UUU PL3 1.53257
16 2UUU FAD 1.53257
17 4D79 ATP 1.53257
18 5FWA J7C 1.53257
19 4RDH AMP 1.53257
20 4RDI ATP 1.53257
21 1XZ3 ICF 1.72414
22 4OHU 2TK 1.91571
23 4OHU NAD 1.91571
24 2C0U FAD NBT 1.91571
25 6AM8 PLT 1.91571
26 2RGO FAD 1.91571
27 5EKO N17 1.91571
28 1QV1 CZH 2.05128
29 3CTY FAD 2.29885
30 4DJA DLZ 2.29885
31 4DJA FAD 2.29885
32 2XVF FAD 2.29885
33 4QVH COA 2.29885
34 3MKH FAD 2.29885
35 3D9F N6C 2.29885
36 3D9F FAD 2.29885
37 3B0P FMN 2.29885
38 2OYL IDC 2.29885
39 6EDK 1YA 2.30415
40 1YUC EPH 2.35294
41 1YMT DR9 2.43902
42 5UNJ RJW 2.44898
43 2OYS FMN 2.47934
44 5XKT GNP 2.5
45 1YP0 PEF 2.51046
46 1TMM HHR 2.53165
47 1TMM APC 2.53165
48 3S5W FAD 2.68199
49 1GNI OLA 2.68199
50 4D57 ARG AMP 2.68199
51 3K7M FAD 2.68199
52 3P0K FAD 2.68199
53 3UST FAD 2.68199
54 3OZ2 FAD 2.68199
55 4D9C PMP 2.68199
56 6BVI EC4 2.68199
57 2Y6Q FAD 2.68199
58 6BVL EBY 2.68199
59 1UU1 PMP HSA 2.68199
60 4TMN 0PK 2.68199
61 2BP1 FLC 2.68199
62 3GRU AMP 2.68199
63 5AHM IMP 2.75
64 3QKD HI0 2.76243
65 1ATL 0QI 2.9703
66 2XVE FAD 3.06513
67 2ZWA SAH 3.06513
68 2GN4 UD1 3.06513
69 4I90 CHT 3.06513
70 5X62 SAH 3.06513
71 1FND FAD 3.06513
72 1FND A2P 3.06513
73 1EP2 ORO 3.06513
74 1KRP DT DT PST 3.06513
75 5UQK U2F 3.06513
76 2OKL BB2 3.24324
77 5DI3 GNP 3.24324
78 4MCC 21X 3.25203
79 1LQY BB2 3.26087
80 3G5K BB2 3.27869
81 3WYF GTP 3.36134
82 4USQ FAD 3.44828
83 5IH1 GDP 3.44828
84 5IH1 6BQ 3.44828
85 4X9M FAD 3.44828
86 2BHW NEX 3.44828
87 1ELI PYC 3.44828
88 5X68 FAD 3.44828
89 2FV5 541 3.44828
90 4DFU QUE 3.44828
91 5LX9 OLB 3.44828
92 4R1S NAP 3.44828
93 1YP1 LYS ASN LEU 3.46535
94 1BKC INN 3.51562
95 4M9Q GNP 3.52423
96 3E3U NVC 3.5533
97 5ETR APC 3.72671
98 5ETR 5RW 3.72671
99 3OLL EST 3.75
100 1N1G BCP 3.83142
101 1NAA ABL 3.83142
102 1NAA 6FA 3.83142
103 3E1T FAD 3.83142
104 6GAS FAD 3.83142
105 4ZCC FAD 3.83142
106 2Y31 SMQ 3.83142
107 3PFD FDA 3.83142
108 3ICT FAD 3.83142
109 4QYS PLP SEP 3.83142
110 1V59 NAD 3.83142
111 2GTE VA 4.03226
112 1R55 097 4.20561
113 1FL2 FAD 4.21456
114 6AIN FAD 4.21456
115 2PO3 T4K 4.21456
116 5APK 76E 4.21456
117 1LVL NAD 4.21456
118 1V25 ANP 4.21456
119 2FGE ALA ALA LEU THR ARG ALA 4.21456
120 2C77 GNP 4.21456
121 1RL4 BRR 4.25532
122 5NTW 98N 4.28016
123 5UC9 MYR 4.42478
124 5TTJ FAD 4.5977
125 2DKH 3HB 4.5977
126 2DKH FAD 4.5977
127 1RJD SAM 4.5977
128 3NTA FAD 4.5977
129 5ZEC NAP 4.5977
130 4UDB CV7 4.5977
131 3NTD FAD 4.5977
132 4CNG SAH 4.70588
133 3BQD DAY 4.70588
134 5N9X THR 4.98084
135 4MRP GSH 4.98084
136 4FFS BIG 5.02092
137 4JE7 BB2 5.07614
138 5MTE BB2 5.10949
139 3U3U EAH 5.15021
140 4BMX ADE 5.17928
141 5FJN BE2 5.36398
142 5FJN FAD 5.36398
143 5B0I BOG 5.36398
144 2BVL GLC 5.36398
145 2BVL UDP 5.36398
146 1QO0 BMD 5.61225
147 1ZOS MTM 5.65217
148 5Y77 FAD 5.74713
149 3LZW NAP 5.74713
150 3NUB UD0 5.74713
151 2Z3U CRR 5.74713
152 1K0E TRP 5.74713
153 6FFI D8B 5.74713
154 1JQ9 PHE LEU SER TYR LYS 5.78512
155 3BBD SAH 5.85366
156 5HI5 63Q 5.90717
157 5MZI FAD 6.13027
158 5MZI FYK 6.13027
159 2QJY SMA 6.13027
160 2C42 PYR 6.13027
161 2C42 TPP 6.13027
162 1IN4 ADP 6.13027
163 5WM2 AMP 6.13027
164 3M6P BB2 6.21762
165 1VLH PNS 6.35838
166 1WS1 BB2 6.41026
167 3IS2 FAD 6.49351
168 4C3Y FAD 6.51341
169 4C3Y ANB 6.51341
170 2JHP SAH 6.51341
171 3WCA FPS 6.51341
172 3D72 FAD 6.71141
173 2VOH CIT 7.00637
174 5AAV GW5 7.14286
175 4II2 ATP 7.22892
176 4QJL COA 7.23404
177 4RW3 PLM 7.27969
178 1COY FAD 7.27969
179 2QX0 APC 7.54717
180 1P9P SAH 7.66284
181 2GAG NAD 7.66284
182 2GAG FOA 7.66284
183 2GAG FAD 7.66284
184 3AD8 NAD 7.66284
185 3ETG GLU 7.66284
186 6H3O FAD 7.66284
187 3K00 MTT 7.66284
188 5B47 PYR 7.66284
189 5F1V 3VN 7.66284
190 3E8T UQ8 7.72727
191 1G27 BB1 7.7381
192 2FP2 TSA 7.83133
193 1Q1Y BB2 7.8534
194 1EWJ BLM 7.93651
195 1OPK MYR 8.04598
196 4J36 1HR 8.04598
197 4J36 FAD 8.04598
198 1NU4 MLA 8.24742
199 4C2V YJA 8.42912
200 5EOU ATP 8.42912
201 5IUY BOG 8.42912
202 3B9Z CO2 8.42912
203 3UWB BB2 8.44156
204 1Q3A NGH 8.48485
205 5TVI MYR 8.69565
206 5CSD ACD 8.80503
207 5ZYN FAD 8.81226
208 3NB0 G6P 8.81226
209 2B96 ANN 8.94309
210 5WZU 7W3 8.94309
211 1E6E FAD 9.1954
212 1XSE NDP 9.57854
213 4DD8 BAT 9.61539
214 4USR FAD 9.96169
215 5EXW 7DT 10.3448
216 1D4D FAD 10.3448
217 4QLX FMN 10.5023
218 1T57 FMN 11.165
219 5ITZ GDP 12.4031
220 2BGS NDP 12.6437
221 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 13
222 4IAE 1DX 13.2275
223 3KP6 SAL 13.245
224 1FFU FAD 14.1762
225 2P1C GG3 14.1762
226 5GVL GI8 14.5594
227 5GVL PLG 14.5594
228 1LNX URI 14.8148
229 5OD2 5ID 15.3257
230 2IBZ SMA 15.748
231 3CXH SMA 15.748
232 3CX5 SMA 15.748
233 1EZV SMA 16.3636
234 5Z3I ADE 45.5939
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