Receptor
PDB id Resolution Class Description Source Keywords
3U40 2.05 Å EC: 2.4.2.1 CRYSTAL STRUCTURE OF A PURINE NUCLEOSIDE PHOSPHORYLASE FROM HISTOLYTICA BOUND TO ADENOSINE ENTAMOEBA HISTOLYTICA STRUCTURAL GENOMICS SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE SSGCID PURINE SALVAGE MALTOSE BINDINGEXPRESSION RESCUE CO-CRYSTAL TRANSFERASE
Ref.: EXPRESSION OF PROTEINS IN ESCHERICHIA COLI AS FUSIO MALTOSE-BINDING PROTEIN TO RESCUE NON-EXPRESSED TAR HIGH-THROUGHPUT PROTEIN-EXPRESSION AND PURIFICATION PIPELINE. ACTA CRYSTALLOGR.,SECT.F V. 67 1006 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADN A:251;
B:251;
C:251;
D:251;
E:251;
F:251;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
267.241 C10 H13 N5 O4 c1nc(...
NO3 A:239;
B:239;
C:239;
D:240;
D:241;
E:239;
F:239;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.005 N O3 [N+](...
PO4 D:239;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3U40 2.05 Å EC: 2.4.2.1 CRYSTAL STRUCTURE OF A PURINE NUCLEOSIDE PHOSPHORYLASE FROM HISTOLYTICA BOUND TO ADENOSINE ENTAMOEBA HISTOLYTICA STRUCTURAL GENOMICS SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE SSGCID PURINE SALVAGE MALTOSE BINDINGEXPRESSION RESCUE CO-CRYSTAL TRANSFERASE
Ref.: EXPRESSION OF PROTEINS IN ESCHERICHIA COLI AS FUSIO MALTOSE-BINDING PROTEIN TO RESCUE NON-EXPRESSED TAR HIGH-THROUGHPUT PROTEIN-EXPRESSION AND PURIFICATION PIPELINE. ACTA CRYSTALLOGR.,SECT.F V. 67 1006 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3U40 - ADN C10 H13 N5 O4 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3U40 - ADN C10 H13 N5 O4 c1nc(c2c(n....
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1Z35 - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
2 1Z34 ic50 = 0.42 mM 2FD C10 H12 F N5 O3 c1nc2c(nc(....
3 1Z38 - NOS C10 H12 N4 O5 c1nc2c(n1[....
4 1PR1 Ki = 5 uM FMB C10 H12 N4 O5 C1=Nc2c(n[....
5 1OUM - TAL C12 H16 N4 O4 Cc1c2c(ncn....
6 1PR2 - MDR C11 H14 N4 O3 Cc1c2c(ncn....
7 1PR5 Ki = 120 uM TBN C11 H14 N4 O4 c1cn(c2c1c....
8 1PKE - 2FD C10 H12 F N5 O3 c1nc2c(nc(....
9 1PR6 - XYA C10 H13 N5 O4 c1nc(c2c(n....
10 1PR0 - NOS C10 H12 N4 O5 c1nc2c(n1[....
11 1PK9 - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
12 1OV6 - DBM C12 H16 N4 O4 Cc1c2c(ncn....
13 1PR4 - MTP C11 H14 N4 O4 S CSc1c2c(nc....
14 1PK7 - ADN C10 H13 N5 O4 c1nc(c2c(n....
15 1OVG - MDR C11 H14 N4 O3 Cc1c2c(ncn....
16 1OU4 - 6MP C6 H6 N4 Cc1c2c(nc[....
17 1OTY - 6MP C6 H6 N4 Cc1c2c(nc[....
18 3UT6 - FMC C10 H13 N5 O4 c1nc2c(c(n....
19 1PW7 - RAB C10 H13 N5 O4 c1nc(c2c(n....
20 1K9S - FM2 C11 H16 N5 O4 C[n+]1cnc2....
21 1A69 Ki = 5 uM FMB C10 H12 N4 O5 C1=Nc2c(n[....
22 1VHW - ADN C10 H13 N5 O4 c1nc(c2c(n....
23 5MX4 - HPA C5 H4 N4 O c1[nH]c2c(....
24 5MX6 - HPA C5 H4 N4 O c1[nH]c2c(....
25 5MX8 - HPA C5 H4 N4 O c1[nH]c2c(....
26 6F4X Kd = 10.7 uM FMC C10 H13 N5 O4 c1nc2c(c(n....
27 6F4W Kd = 2.95 uM FMC C10 H13 N5 O4 c1nc2c(c(n....
28 1JDT - MTA C11 H15 N5 O3 S CSC[C@@H]1....
29 1JE1 - GMP C10 H13 N5 O5 c1nc2c(n1[....
30 1JDZ - FMB C10 H12 N4 O5 C1=Nc2c(n[....
31 2AC7 - ADN C10 H13 N5 O4 c1nc(c2c(n....
32 3UAZ - NOS C10 H12 N4 O5 c1nc2c(n1[....
33 3UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
34 3UAX - NOS C10 H12 N4 O5 c1nc2c(n1[....
35 3UAW - ADN C10 H13 N5 O4 c1nc(c2c(n....
36 1ODI Kd = 62 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
37 1ODJ Kd = 80 uM GMP C10 H13 N5 O5 c1nc2c(n1[....
38 4DAO - ADE C5 H5 N5 c1[nH]c2c(....
39 4DA6 - GA2 C9 H13 N5 O4 c1nc2c(n1C....
40 4DA7 - AC2 C8 H11 N5 O3 c1nc2c(n1C....
41 4DAE - 6CR C10 H12 Cl N5 O4 c1nc2c(n1[....
42 4D9H - ADN C10 H13 N5 O4 c1nc(c2c(n....
43 4D8V - ADE C5 H5 N5 c1[nH]c2c(....
44 4DAB - HPA C5 H4 N4 O c1[nH]c2c(....
45 3U40 - ADN C10 H13 N5 O4 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ADN; Similar ligands found: 362
No: Ligand ECFP6 Tc MDL keys Tc
1 RAB 1 1
2 XYA 1 1
3 ADN 1 1
4 5N5 0.811321 0.967742
5 A4D 0.796296 0.967742
6 5CD 0.796296 0.920635
7 MTA 0.758621 0.878788
8 EP4 0.754386 0.852941
9 M2T 0.741379 0.828571
10 DTA 0.741379 0.865672
11 AMP 0.709677 0.842857
12 A 0.709677 0.842857
13 3DH 0.704918 0.878788
14 ZAS 0.68254 0.84058
15 LMS 0.68254 0.7375
16 5AD 0.672727 0.854839
17 6RE 0.671875 0.830986
18 SRA 0.671875 0.797297
19 AMP MG 0.671875 0.855072
20 DSH 0.661538 0.842857
21 AOC 0.661538 0.907692
22 7D7 0.660714 0.875
23 A2D 0.651515 0.84507
24 ABM 0.651515 0.819444
25 J7C 0.651515 0.842857
26 A3N 0.651515 0.923077
27 45A 0.651515 0.819444
28 ADP 0.647059 0.84507
29 NWW 0.644068 0.870968
30 GJV 0.641791 0.819444
31 S4M 0.641791 0.766234
32 3AM 0.640625 0.828571
33 AN2 0.637681 0.833333
34 MAO 0.632353 0.75641
35 BA3 0.632353 0.84507
36 AP2 0.632353 0.810811
37 A12 0.632353 0.810811
38 Y3J 0.627119 0.828125
39 AP5 0.623188 0.84507
40 B4P 0.623188 0.84507
41 5AS 0.623188 0.714286
42 HEJ 0.619718 0.84507
43 5X8 0.619718 0.865672
44 ATP 0.619718 0.84507
45 ADP BEF 0.614286 0.842857
46 AT4 0.614286 0.810811
47 A7D 0.614286 0.909091
48 ADP MG 0.614286 0.842857
49 SON 0.614286 0.786667
50 5FA 0.611111 0.84507
51 APC 0.611111 0.810811
52 AQP 0.611111 0.84507
53 2FA 0.606557 0.924242
54 26A 0.606557 0.893939
55 ADX 0.605634 0.759494
56 M33 0.605634 0.833333
57 CA0 0.605634 0.821918
58 MHZ 0.605634 0.75641
59 AU1 0.605634 0.821918
60 AGS 0.60274 0.8
61 AD9 0.60274 0.821918
62 2AM 0.6 0.842857
63 50T 0.597222 0.833333
64 H1Q 0.597222 0.830986
65 KG4 0.597222 0.821918
66 SFG 0.597222 0.850746
67 ACP 0.597222 0.821918
68 MTP 0.590164 0.852941
69 AR6 0.589041 0.84507
70 PRX 0.589041 0.797297
71 APR 0.589041 0.84507
72 A3G 0.588235 0.938462
73 ACQ 0.586667 0.821918
74 T99 0.586667 0.810811
75 TAT 0.586667 0.810811
76 A3P 0.585714 0.816901
77 A5D 0.581081 0.865672
78 RBY 0.581081 0.810811
79 SA8 0.581081 0.794521
80 ADP PO3 0.581081 0.842857
81 ATP MG 0.581081 0.842857
82 APC MG 0.581081 0.819444
83 ADV 0.581081 0.810811
84 1DA 0.580645 1
85 6MD 0.580645 0.952381
86 ADQ 0.575 0.847222
87 OVE 0.573529 0.808219
88 SAH 0.573333 0.84058
89 BEF ADP 0.573333 0.819444
90 SAI 0.573333 0.828571
91 G5A 0.573333 0.714286
92 A22 0.56962 0.833333
93 KL2 0.569231 0.788732
94 GAP 0.565789 0.821918
95 SAM 0.565789 0.773333
96 ANP 0.565789 0.821918
97 NEC 0.565217 0.876923
98 3AD 0.564516 0.951613
99 6YZ 0.564103 0.821918
100 25A 0.5625 0.819444
101 7D5 0.560606 0.780822
102 5AL 0.558442 0.808219
103 8LE 0.558442 0.776316
104 EEM 0.558442 0.773333
105 V2G 0.558442 0.779221
106 AAT 0.558442 0.819444
107 HQG 0.556962 0.833333
108 NWQ 0.552239 0.84375
109 ANP MG 0.551282 0.808219
110 VO4 ADP 0.551282 0.797297
111 A5A 0.551282 0.719512
112 ALF ADP 0.551282 0.776316
113 ATF 0.551282 0.810811
114 CC5 0.55 0.935484
115 A3S 0.547945 0.953125
116 8LH 0.544304 0.810811
117 SMM 0.544304 0.74359
118 V47 0.544304 0.863636
119 SSA 0.544304 0.73494
120 SRP 0.544304 0.810811
121 S7M 0.544304 0.773333
122 QQX 0.544118 0.756757
123 S8M 0.54321 0.805556
124 N5O 0.542857 0.893939
125 ADP BMA 0.542169 0.847222
126 A2P 0.541667 0.802817
127 3D1 0.539683 0.907692
128 3L1 0.539683 0.907692
129 PAP 0.539474 0.830986
130 54H 0.5375 0.702381
131 52H 0.5375 0.694118
132 VMS 0.5375 0.702381
133 LSS 0.536585 0.678161
134 ERJ 0.536232 0.920635
135 ACK 0.536232 0.811594
136 QQY 0.536232 0.767123
137 K38 0.534884 0.910448
138 A3T 0.533333 0.968254
139 8LQ 0.530864 0.786667
140 TSB 0.530864 0.731707
141 MAP 0.530864 0.8
142 8X1 0.530864 0.689655
143 5CA 0.530864 0.73494
144 KY2 0.530864 0.797297
145 53H 0.530864 0.694118
146 QA7 0.530864 0.776316
147 DAL AMP 0.530864 0.808219
148 K2H 0.53012 0.855072
149 K3K 0.528736 0.910448
150 N5A 0.527778 0.863636
151 QXP 0.52439 0.740741
152 GEK 0.52439 0.805556
153 8QN 0.52439 0.808219
154 OZV 0.52439 0.84507
155 9ZA 0.52439 0.766234
156 5SV 0.52439 0.75641
157 9ZD 0.52439 0.766234
158 OOB 0.52439 0.808219
159 9X8 0.52381 0.8
160 OAD 0.52381 0.821918
161 25L 0.523256 0.833333
162 K3H 0.522727 0.871429
163 K2W 0.522727 0.859155
164 PPS 0.518987 0.7375
165 A1R 0.518072 0.813333
166 PAJ 0.518072 0.792208
167 KYB 0.518072 0.797297
168 A3R 0.518072 0.813333
169 0UM 0.518072 0.808219
170 AMO 0.518072 0.810811
171 4AD 0.518072 0.8
172 DSZ 0.518072 0.714286
173 NSS 0.518072 0.714286
174 K2K 0.517647 0.857143
175 6CR 0.515152 0.910448
176 SP1 0.514286 0.77027
177 RP1 0.514286 0.77027
178 2VA 0.513158 0.938462
179 AHX 0.511905 0.802632
180 00A 0.511905 0.766234
181 62X 0.511905 0.74359
182 NVA LMS 0.511905 0.670455
183 DLL 0.511905 0.808219
184 JNT 0.511905 0.847222
185 3OD 0.511628 0.821918
186 ME8 0.511628 0.728395
187 PTJ 0.511628 0.75641
188 HZ2 0.51087 0.847222
189 7D3 0.506849 0.783784
190 V3L 0.506329 0.819444
191 LEU LMS 0.505882 0.686047
192 K15 0.505882 0.763158
193 QXG 0.505882 0.731707
194 A6D 0.505882 0.763158
195 3UK 0.505882 0.797297
196 KAA 0.5 0.689655
197 WAQ 0.5 0.766234
198 PR8 0.5 0.759494
199 HY8 0.5 0.847222
200 2BA 0.5 0.814286
201 5F1 0.5 0.80597
202 CMP 0.5 0.826087
203 R2V 0.5 0.740741
204 LAD 0.5 0.769231
205 ATR 0.5 0.816901
206 NVA 2AD 0.5 0.884058
207 B5V 0.5 0.786667
208 AD3 0.5 1
209 GSU 0.5 0.694118
210 P5A 0.5 0.681818
211 KY8 0.5 0.819444
212 ATP A 0.494382 0.830986
213 ATP A A A 0.494382 0.830986
214 KMQ 0.494382 0.810811
215 NB8 0.494253 0.779221
216 1ZZ 0.494253 0.728395
217 JB6 0.494253 0.766234
218 9K8 0.494253 0.670455
219 BIS 0.494253 0.789474
220 TXA 0.494253 0.810811
221 SXZ 0.494253 0.773333
222 FYA 0.494253 0.808219
223 SO8 0.493671 0.924242
224 VRT 0.493671 0.897059
225 IVH 0.493333 0.835616
226 KY5 0.488636 0.842857
227 KB1 0.488636 0.783784
228 MYR AMP 0.488636 0.728395
229 2A5 0.487179 0.797297
230 NOC 0.484375 0.903226
231 4UV 0.483516 0.776316
232 9SN 0.483146 0.75641
233 A2R 0.481928 0.833333
234 7D4 0.480519 0.783784
235 B5Y 0.477778 0.776316
236 B5M 0.477778 0.776316
237 FA5 0.477778 0.786667
238 8PZ 0.477778 0.714286
239 D3Y 0.47619 0.924242
240 AR6 AR6 0.473118 0.819444
241 AFH 0.473118 0.792208
242 YSA 0.472527 0.694118
243 KYE 0.472527 0.776316
244 B1U 0.472527 0.655556
245 XAH 0.472527 0.75
246 EKK 0.469697 0.923077
247 NX8 0.469136 0.830986
248 TBN 0.46875 0.983607
249 3BH 0.46875 0.953125
250 NWZ 0.468354 0.816901
251 K3E 0.467391 0.897059
252 AMP DBH 0.467391 0.821918
253 101 0.465753 0.780822
254 LAQ 0.463158 0.728395
255 TO1 0.462687 0.952381
256 G3A 0.462366 0.779221
257 7C5 0.462366 0.819444
258 ERS 0.461538 0.855072
259 UPA 0.459184 0.813333
260 LPA AMP 0.458333 0.728395
261 ARG AMP 0.457447 0.740741
262 G5P 0.457447 0.779221
263 GA7 0.457447 0.835616
264 7MD 0.457447 0.772152
265 4UU 0.457447 0.776316
266 ERP 0.455696 0.90625
267 CUU 0.455696 0.819444
268 5ID 0.454545 0.923077
269 EKH 0.454545 0.923077
270 GTA 0.452632 0.75
271 KXW 0.452632 0.819444
272 DQV 0.452632 0.833333
273 KH3 0.452632 0.776316
274 TAD 0.452632 0.769231
275 4YB 0.452632 0.678161
276 J4G 0.449438 0.776316
277 3NZ 0.449438 0.884058
278 OMR 0.44898 0.740741
279 TYM 0.44898 0.786667
280 WSA 0.44898 0.702381
281 AHZ 0.447917 0.728395
282 FTU 0.447761 0.923077
283 KF5 0.446154 0.656716
284 139 0.445545 0.782051
285 Q2M 0.444444 0.773333
286 KOY 0.443299 0.855072
287 OZP 0.443299 0.794521
288 U4Y 0.443299 0.805556
289 48N 0.443299 0.779221
290 YLP 0.443299 0.731707
291 ARJ 0.441176 0.857143
292 AFX 0.441176 0.768116
293 LQJ 0.44086 0.819444
294 AV2 0.440476 0.77027
295 D5M 0.44 0.756757
296 DA 0.44 0.756757
297 5J9 0.43956 0.773333
298 4UW 0.438776 0.746835
299 EU9 0.438776 0.698795
300 6V0 0.438776 0.779221
301 NAI 0.438776 0.789474
302 TXD 0.438776 0.789474
303 UP5 0.438776 0.8
304 DND 0.438776 0.810811
305 NAX 0.438776 0.759494
306 PO4 PO4 A A A A PO4 0.438202 0.802817
307 NA7 0.438202 0.810811
308 MZR 0.4375 0.859375
309 V1N 0.43617 0.819444
310 HO4 0.434783 0.952381
311 TXE 0.434343 0.789474
312 N37 0.434343 0.802817
313 ALF ADP 3PG 0.434343 0.746835
314 649 0.434343 0.662921
315 AF3 ADP 3PG 0.434343 0.746835
316 IMO 0.434211 0.777778
317 3AT 0.433735 0.819444
318 Q2V 0.431373 0.783784
319 Q34 0.43 0.753247
320 NAD TDB 0.43 0.819444
321 YLB 0.43 0.731707
322 F0P 0.43 0.794521
323 7MC 0.43 0.753086
324 AP0 0.43 0.779221
325 4TC 0.43 0.779221
326 YLC 0.43 0.75
327 NAD IBO 0.43 0.819444
328 8Q2 0.43 0.689655
329 L3W 0.43 0.810811
330 6MZ 0.428571 0.805556
331 SGV 0.428571 0.967742
332 BS5 0.427184 0.674157
333 A4P 0.425743 0.73494
334 IOT 0.421569 0.722892
335 DAT 0.419753 0.76
336 COD 0.419048 0.72619
337 ADJ 0.417476 0.740741
338 T5A 0.417476 0.731707
339 YLA 0.417476 0.731707
340 AS 0.415584 0.717949
341 J1D 0.415094 0.625
342 0XU 0.414634 0.823529
343 AYB 0.413462 0.722892
344 CNA 0.413462 0.810811
345 103 0.413333 0.716216
346 80F 0.411215 0.731707
347 GMP 0.410959 0.882353
348 EO7 0.410256 0.702381
349 F2R 0.409524 0.753086
350 GGZ 0.409091 0.7125
351 ITT 0.407407 0.791667
352 BTX 0.40566 0.710843
353 Q2P 0.40566 0.753247
354 4TA 0.40566 0.719512
355 NAD 0.40566 0.808219
356 AMP NAD 0.40566 0.808219
357 O02 0.404762 0.779221
358 SFB 0.401961 0.709302
359 DZD 0.401869 0.769231
360 BT5 0.401869 0.702381
361 DTP 0.4 0.76
362 AF2 AF2 AF2 AF2 AF2 AF2 0.4 0.716216
Similar Ligands (3D)
Ligand no: 1; Ligand: ADN; Similar ligands found: 809
No: Ligand Similarity coefficient
1 NOS 1.0000
2 FMC 1.0000
3 IMH 1.0000
4 FM1 1.0000
5 E9P 1.0000
6 PMP 1.0000
7 5FD 0.9993
8 FMB 0.9983
9 9DI 0.9971
10 UA2 0.9903
11 PRH 0.9896
12 HPR 0.9896
13 MDR 0.9829
14 TAL 0.9826
15 FM2 0.9816
16 DBM 0.9816
17 PUR 0.9808
18 IMG 0.9808
19 4UO 0.9796
20 MTH 0.9782
21 RPP 0.9776
22 8OX 0.9757
23 5NB 0.9736
24 MTI 0.9729
25 CFE 0.9717
26 MTM 0.9717
27 CL9 0.9682
28 2FD 0.9677
29 GNG 0.9638
30 MCF 0.9607
31 MG7 0.9604
32 5I5 0.9604
33 DNB 0.9602
34 F01 0.9577
35 THM 0.9541
36 RFZ 0.9534
37 5MD 0.9532
38 5UD 0.9530
39 DCF 0.9519
40 13A 0.9495
41 SNI 0.9487
42 0DN 0.9486
43 RBV 0.9478
44 MCY 0.9477
45 SCT 0.9475
46 URI 0.9462
47 CTN 0.9454
48 NNR 0.9444
49 5BT 0.9440
50 TIZ 0.9431
51 B86 0.9428
52 XIF XYP 0.9394
53 CDY 0.9378
54 CTD 0.9378
55 ID2 0.9373
56 XYP XDN 0.9367
57 URD 0.9366
58 XDN XYP 0.9364
59 7CI 0.9360
60 TIA 0.9349
61 XIL 0.9338
62 XDL XYP 0.9334
63 TRP 0.9323
64 TMC 0.9322
65 XYP XYS 0.9312
66 5AE 0.9297
67 ZYV 0.9297
68 8HG 0.9295
69 DUR 0.9292
70 A4G 0.9285
71 XYP XIF 0.9282
72 N8M 0.9276
73 H7S 0.9274
74 2TU 0.9271
75 UUA 0.9270
76 3DT 0.9268
77 28A 0.9268
78 8DA 0.9265
79 NIR 0.9263
80 38B 0.9260
81 I5A 0.9253
82 XTS 0.9246
83 LVY 0.9241
84 Z8B 0.9240
85 AHU 0.9235
86 AGV 0.9229
87 NEO 0.9228
88 TYU 0.9228
89 DK4 0.9227
90 JMQ 0.9222
91 ZEB 0.9222
92 PIR 0.9221
93 GPK 0.9217
94 XYP XYP 0.9216
95 15Q 0.9215
96 DCZ 0.9214
97 EXX 0.9213
98 96Z 0.9196
99 C4F 0.9190
100 NQ7 0.9189
101 2JX 0.9189
102 Z57 0.9188
103 II4 0.9187
104 833 0.9186
105 ACE TRP 0.9184
106 C2M 0.9182
107 Z15 0.9180
108 2QU 0.9179
109 GEO 0.9178
110 ZYW 0.9168
111 GA2 0.9162
112 GPQ 0.9157
113 3RP 0.9157
114 92O 0.9155
115 ZIQ 0.9148
116 THU 0.9147
117 GFE 0.9144
118 S0G 0.9143
119 X29 0.9138
120 EAT 0.9137
121 4ZF 0.9133
122 LLT 0.9129
123 TR7 0.9128
124 9UL 0.9127
125 CTE 0.9125
126 DIH 0.9125
127 GPU 0.9123
128 5V7 0.9122
129 4MP 0.9121
130 XYP AHR 0.9120
131 EF2 0.9119
132 2P3 0.9115
133 EZB 0.9115
134 50Q 0.9114
135 EXG 0.9113
136 0OK 0.9113
137 JO5 0.9106
138 WCU 0.9103
139 LOX XYP 0.9102
140 DTE 0.9100
141 5BX 0.9100
142 MBY 0.9097
143 3CA 0.9094
144 ETV 0.9093
145 4OZ 0.9092
146 1SF 0.9088
147 JSX 0.9084
148 RVD 0.9084
149 XYS XYP 0.9082
150 1ZC 0.9080
151 BMC 0.9079
152 VCE 0.9078
153 42R 0.9076
154 Y70 0.9074
155 BBY 0.9073
156 JFS 0.9071
157 4GU 0.9070
158 NE1 0.9070
159 XYS AZI XYS 0.9069
160 ZJB 0.9068
161 DBS 0.9068
162 FC2 0.9067
163 X2M 0.9067
164 5JT 0.9066
165 AR3 0.9065
166 8P3 0.9062
167 6EL 0.9061
168 EZN 0.9060
169 J27 0.9060
170 JA3 0.9058
171 1Q4 0.9056
172 SX3 0.9055
173 YE6 0.9055
174 BVD 0.9055
175 PE2 0.9054
176 S1D 0.9052
177 69K 0.9049
178 A4N 0.9047
179 AUE 0.9046
180 EAJ 0.9045
181 P2L 0.9045
182 B2L 0.9044
183 L2K 0.9042
184 SA0 0.9039
185 28B 0.9034
186 GP0 0.9031
187 LL1 0.9031
188 XYS XYS 0.9029
189 BRD 0.9029
190 RVC 0.9029
191 JF8 0.9028
192 MPU 0.9024
193 KCH 0.9023
194 AOJ 0.9023
195 BC3 0.9020
196 DFL 0.9018
197 22L 0.9018
198 SGP 0.9018
199 AVX 0.9017
200 R9G 0.9017
201 Q5M 0.9016
202 OUA 0.9010
203 IM5 0.9009
204 H4B 0.9009
205 0GA 0.9008
206 Q11 0.9005
207 AUV 0.9004
208 C1Y 0.9004
209 ELH 0.9003
210 1FL 0.9003
211 2QV 0.9002
212 A18 0.9002
213 VBC 0.9002
214 PZ8 0.9000
215 9CE 0.8999
216 ITW 0.8999
217 6J3 0.8998
218 EQU 0.8996
219 CUH 0.8995
220 KP2 0.8994
221 5P7 0.8992
222 C0H 0.8991
223 DDU 0.8991
224 FT6 0.8988
225 C4E 0.8988
226 H2B 0.8988
227 HBI 0.8988
228 7VF 0.8987
229 D64 0.8986
230 AUG 0.8986
231 F4U 0.8985
232 2GD 0.8982
233 DKZ 0.8981
234 TI7 0.8981
235 UX0 0.8978
236 9FH 0.8978
237 Z2T 0.8977
238 DKX 0.8975
239 CX5 0.8975
240 TCC 0.8975
241 B21 0.8974
242 CJB 0.8974
243 B5A 0.8972
244 4AB 0.8972
245 MFR 0.8972
246 XYP XIM 0.8972
247 FT1 0.8971
248 IXG 0.8969
249 W29 0.8969
250 6SW 0.8968
251 3WO 0.8967
252 3WN 0.8967
253 A4V 0.8965
254 RK4 0.8965
255 M01 0.8964
256 Q9T 0.8964
257 Q2S 0.8963
258 H75 0.8962
259 14Z 0.8962
260 TCL 0.8962
261 6SX 0.8961
262 NXB 0.8961
263 3IL 0.8960
264 0OO 0.8960
265 RVB 0.8959
266 FWD 0.8959
267 KWB 0.8957
268 4CN 0.8957
269 1KN 0.8957
270 HVE 0.8955
271 BZM 0.8954
272 FB4 0.8949
273 2J5 0.8947
274 4K2 0.8946
275 NEU 0.8946
276 LTN 0.8945
277 7FZ 0.8945
278 5GV 0.8944
279 PW1 0.8944
280 EXL 0.8944
281 TJM 0.8944
282 AJ4 0.8943
283 FHI 0.8942
284 M83 0.8942
285 G14 0.8942
286 7D1 MAN 0.8941
287 C0Y 0.8939
288 Q4G 0.8939
289 ID8 0.8938
290 0QV 0.8938
291 6WR 0.8938
292 J3Z 0.8937
293 78U 0.8935
294 SBI 0.8935
295 TLF 0.8934
296 G30 0.8934
297 EST 0.8933
298 PCG 0.8933
299 D1M 0.8933
300 AZZ 0.8933
301 DTR 0.8931
302 EV2 0.8930
303 FCW 0.8929
304 CJZ 0.8928
305 K80 0.8923
306 ISX 0.8922
307 DHZ 0.8922
308 IMK 0.8918
309 092 0.8918
310 XEV 0.8918
311 JMS 0.8917
312 HHV 0.8916
313 0FR 0.8914
314 DXK 0.8914
315 ALN 0.8912
316 5E5 0.8911
317 4L2 0.8910
318 EMU 0.8907
319 3Y7 0.8906
320 27M 0.8906
321 RE4 0.8906
322 SY4 0.8902
323 MAN IFM 0.8902
324 6WU 0.8901
325 B4L 0.8900
326 7AP 0.8900
327 88R 0.8898
328 4OG 0.8895
329 1CY 0.8895
330 7ZL 0.8894
331 BIO 0.8894
332 W23 0.8894
333 NAL 0.8893
334 CQW 0.8893
335 GAT 0.8892
336 IM4 0.8891
337 WV7 0.8890
338 F40 0.8890
339 YX1 0.8889
340 6QT 0.8889
341 TGW 0.8887
342 DS8 0.8887
343 ANU 0.8886
344 STZ 0.8886
345 TH4 0.8885
346 Q9P 0.8885
347 4I5 0.8883
348 AV4 0.8882
349 OA1 0.8880
350 JPB 0.8877
351 2L2 0.8877
352 WLH 0.8877
353 IQW 0.8876
354 2L1 0.8876
355 CWD 0.8875
356 6J9 0.8875
357 TH1 0.8871
358 KW7 0.8870
359 4NR 0.8869
360 ZRK 0.8867
361 WVV 0.8867
362 KUP 0.8866
363 JVQ 0.8865
364 LDC 0.8864
365 MR6 0.8864
366 FMP 0.8863
367 LM7 0.8863
368 RR7 GLC 0.8862
369 LVB 0.8862
370 16Z 0.8862
371 IMP 0.8862
372 Z16 0.8861
373 KYN 0.8861
374 MEX 0.8861
375 WL3 0.8860
376 M5H 0.8859
377 9FG 0.8859
378 5E4 0.8859
379 9ME 0.8857
380 EXR 0.8857
381 272 0.8857
382 3D8 0.8856
383 7G0 0.8856
384 1XS 0.8854
385 JOB 0.8854
386 3TC 0.8853
387 BHS 0.8853
388 IA2 0.8852
389 BGC GLC 0.8852
390 ZEZ 0.8850
391 DGO Z61 0.8850
392 B2X 0.8848
393 21E 0.8847
394 KMG 0.8847
395 0SY 0.8846
396 A7K 0.8845
397 AGI 0.8845
398 3WJ 0.8842
399 BPY 0.8841
400 ZMG 0.8840
401 B1T 0.8840
402 OCZ 0.8840
403 6SZ 0.8840
404 QMR 0.8839
405 0DF 0.8839
406 GLC 7LQ 0.8838
407 GN6 0.8837
408 NIY 0.8836
409 4YE 0.8836
410 AVA 0.8835
411 J47 0.8835
412 AWE 0.8834
413 M02 0.8832
414 IWH 0.8831
415 0J4 0.8830
416 TVZ 0.8830
417 TDI 0.8830
418 FY8 0.8829
419 1V1 0.8828
420 17M 0.8828
421 DNQ 0.8828
422 NAR 0.8826
423 VJJ 0.8825
424 5CK 0.8825
425 PCQ 0.8825
426 IMQ 0.8825
427 7L4 0.8823
428 AP6 0.8823
429 2LT 0.8822
430 RUG 0.8821
431 Q2R 0.8820
432 BGC BMA 0.8820
433 7CH 0.8820
434 JY4 0.8819
435 GAL FUC 0.8818
436 5S9 0.8818
437 BWD 0.8817
438 26C 0.8816
439 QME 0.8816
440 DBQ 0.8816
441 581 0.8815
442 8WB 0.8815
443 848 0.8814
444 HA6 0.8814
445 TYP 0.8814
446 Z17 0.8813
447 64I 0.8812
448 AX8 0.8812
449 A73 0.8811
450 CH8 0.8811
451 IRP 0.8810
452 1TD 0.8810
453 2DL 0.8807
454 MQR 0.8807
455 0XR 0.8807
456 3QI 0.8806
457 LJ4 0.8806
458 35G 0.8806
459 IFM BGC 0.8805
460 M77 0.8805
461 KS5 0.8804
462 XFE 0.8803
463 M3F 0.8802
464 A7M 0.8800
465 LTT 0.8800
466 CUT 0.8800
467 3AK 0.8800
468 X0T 0.8800
469 CMU 0.8800
470 ZSP 0.8799
471 FYR 0.8799
472 GLC IFM 0.8798
473 885 0.8797
474 Q92 0.8796
475 DFV 0.8796
476 QKU 0.8796
477 NWD 0.8796
478 6U5 0.8793
479 M0N 0.8792
480 FPL 0.8792
481 DI 0.8791
482 A4T 0.8791
483 H35 0.8791
484 12R 0.8791
485 DAH 0.8791
486 54F 0.8790
487 5B2 0.8789
488 U4J 0.8789
489 GEN 0.8789
490 MW5 0.8788
491 KMP 0.8788
492 QTS 0.8788
493 AEY 0.8788
494 BDJ 0.8787
495 17C 0.8786
496 H70 0.8785
497 5VU 0.8782
498 38E 0.8781
499 X48 0.8780
500 1A5 0.8779
501 5GP 0.8778
502 6NZ 0.8778
503 M2E 0.8776
504 E1N 0.8776
505 IMV 0.8775
506 4E5 0.8774
507 JGB 0.8773
508 7EH 0.8772
509 0DJ 0.8772
510 L5D 0.8772
511 54E 0.8771
512 51Y 0.8770
513 DE7 0.8770
514 7G1 0.8770
515 CNI 0.8770
516 6FB 0.8770
517 QRP 0.8769
518 PQT 0.8767
519 PF1 0.8767
520 Q0K 0.8766
521 EDG AHR 0.8765
522 363 0.8765
523 5C1 0.8765
524 PVQ 0.8764
525 OA4 0.8764
526 AC2 0.8764
527 IWD 0.8762
528 68B 0.8761
529 BMA BMA 0.8761
530 3IP 0.8761
531 PBQ 0.8759
532 56N 0.8759
533 MJ5 0.8758
534 75G 0.8757
535 CU8 0.8757
536 5WK 0.8756
537 BGC OXZ 0.8755
538 X6P 0.8754
539 HRM 0.8753
540 1DR 0.8753
541 6SY 0.8753
542 YUG 0.8753
543 8D6 0.8753
544 8BR 0.8751
545 C93 0.8749
546 WS6 0.8749
547 47V 0.8748
548 N8Z 0.8747
549 DGO MAN 0.8744
550 ESL 0.8743
551 CP6 0.8742
552 GJB 0.8741
553 CP7 0.8741
554 0OL 0.8741
555 MAN G63 0.8741
556 MIL 0.8741
557 2UD 0.8740
558 GW3 0.8740
559 4F0 0.8740
560 2J2 0.8739
561 9W5 0.8739
562 5NN 0.8739
563 QNI 0.8738
564 GDQ GLC 0.8738
565 3WK 0.8737
566 DIF 0.8737
567 X11 0.8736
568 0Q2 0.8735
569 ESR 0.8735
570 6ZW 0.8733
571 LZJ 0.8733
572 HWD 0.8733
573 HNT 0.8733
574 6HO 0.8732
575 PRL 0.8729
576 MXD 0.8728
577 BA5 0.8728
578 5CQ 0.8725
579 L3L 0.8725
580 PVK 0.8722
581 RHN 0.8721
582 MMA XYP 0.8721
583 HBO 0.8720
584 AMR 0.8719
585 BP3 0.8719
586 ESZ 0.8718
587 WOE 0.8718
588 6TX 0.8717
589 DG 0.8717
590 FCD 0.8716
591 IQQ 0.8715
592 0ON 0.8714
593 2GQ 0.8713
594 B23 0.8713
595 LRT 0.8712
596 G 0.8712
597 GF7 0.8712
598 4AF 0.8711
599 0X2 0.8711
600 GLC DMJ 0.8711
601 2JM 0.8710
602 AP4 0.8710
603 53X 0.8709
604 57D 0.8708
605 3GC 0.8708
606 MMS 0.8708
607 3VW 0.8708
608 FC3 0.8707
609 MGI 0.8706
610 71V 0.8705
611 8OE 0.8705
612 6DQ 0.8704
613 P4L 0.8703
614 RNK 0.8702
615 KWH 0.8702
616 J84 0.8701
617 E1K 0.8700
618 TC8 0.8700
619 XDH 0.8700
620 NPS 0.8700
621 B52 0.8699
622 NE2 0.8698
623 BGC GAL 0.8698
624 4EU 0.8697
625 T3P 0.8697
626 0J2 0.8696
627 TOP 0.8694
628 FMQ 0.8693
629 0HY 0.8693
630 FT3 0.8693
631 8OP 0.8692
632 51P 0.8691
633 DY5 0.8691
634 H52 0.8690
635 BGC BGC 0.8689
636 3WF 0.8688
637 N1Y 0.8688
638 2GE 0.8688
639 BP7 0.8687
640 A4Q 0.8687
641 A6H 0.8687
642 FBC 0.8686
643 4FF 0.8686
644 0J5 0.8685
645 DPT 0.8685
646 YZ9 0.8684
647 XMP 0.8683
648 MAN MNM 0.8683
649 PIQ 0.8682
650 DGP 0.8682
651 6DE 0.8681
652 4WF 0.8680
653 IMU 0.8679
654 AOX 0.8679
655 W8G 0.8678
656 5P3 0.8678
657 PQS 0.8678
658 ER6 0.8678
659 537 0.8677
660 MUK 0.8676
661 5SJ 0.8674
662 IFM BMA 0.8674
663 IOS 0.8673
664 KLT 0.8673
665 GLC BGC 0.8672
666 8OB 0.8672
667 8CS 0.8671
668 WUB 0.8671
669 VM7 0.8669
670 OX2 0.8669
671 5XL 0.8669
672 145 0.8669
673 LU2 0.8668
674 KXN 0.8665
675 4AU 0.8665
676 CGW 0.8664
677 9PP 0.8663
678 5CJ 0.8663
679 CPW 0.8662
680 2KU 0.8661
681 1YO 0.8660
682 OUG 0.8660
683 DX6 0.8658
684 A4B 0.8655
685 BDT 0.8655
686 5F7 0.8654
687 OUB 0.8654
688 CBE 0.8653
689 DCN 0.8652
690 2GP 0.8651
691 FLF 0.8651
692 BGU 0.8651
693 JNW 0.8650
694 6J7 0.8650
695 RDT 0.8649
696 TMP 0.8647
697 159 0.8647
698 6MA 0.8646
699 RSV 0.8644
700 FT2 0.8643
701 Z25 0.8642
702 22T 0.8641
703 V1T 0.8640
704 BZQ 0.8639
705 DRG 0.8639
706 1VK 0.8636
707 X04 0.8636
708 CX6 0.8635
709 CHQ 0.8633
710 G6P 0.8633
711 6CG 0.8631
712 JO8 0.8631
713 5TY 0.8631
714 2K8 0.8630
715 5WN 0.8630
716 D9Z 0.8629
717 A5K 0.8628
718 9JT 0.8627
719 0OY 0.8626
720 SJK 0.8625
721 1HP 0.8624
722 LFN 0.8624
723 7GP 0.8623
724 IMB 0.8621
725 78P 0.8621
726 5O5 0.8621
727 YIH 0.8621
728 XCG 0.8620
729 BIE 0.8619
730 3JC 0.8618
731 TES 0.8617
732 5YA 0.8614
733 WSD 0.8614
734 S60 0.8614
735 3GP 0.8614
736 IQP 0.8614
737 T61 0.8613
738 2J1 0.8612
739 L13 0.8611
740 7NU 0.8611
741 IQZ 0.8610
742 ZEA 0.8610
743 VIB 0.8608
744 6GP 0.8607
745 U5P 0.8606
746 BP6 0.8606
747 CHJ 0.8605
748 PRO LEU 0.8603
749 4P8 0.8602
750 ARP 0.8601
751 LP8 0.8600
752 AUT 0.8599
753 IOP 0.8597
754 8CB 0.8596
755 AMZ 0.8596
756 NIA 0.8595
757 T1N 0.8594
758 6J5 0.8592
759 4FC 0.8591
760 47X 0.8591
761 6VW 0.8590
762 OSY 0.8590
763 KW8 0.8589
764 72E 0.8588
765 4BF 0.8588
766 5SD 0.8587
767 977 0.8587
768 QMS 0.8586
769 KHP 0.8585
770 A8Q 0.8584
771 HRX 0.8583
772 S98 0.8582
773 FER 0.8581
774 APS 0.8580
775 9F8 0.8580
776 TYR 0.8579
777 HLP 0.8578
778 50C 0.8578
779 FQX 0.8578
780 11X 0.8575
781 RKN 0.8575
782 PQM 0.8572
783 LWS 0.8571
784 D87 0.8568
785 RPN 0.8566
786 43F 0.8564
787 HNH 0.8561
788 0K7 0.8561
789 UM3 0.8558
790 XDI 0.8557
791 JFZ 0.8554
792 LUM 0.8554
793 N1E 0.8553
794 92G 0.8550
795 GNV 0.8549
796 1KX 0.8547
797 X0U 0.8545
798 YIP 0.8545
799 BZE 0.8544
800 BG6 0.8541
801 BGP 0.8540
802 9JH 0.8540
803 N2Y 0.8536
804 GLC GAL 0.8528
805 MYT 0.8526
806 CIW 0.8523
807 U2Z 0.8517
808 OSP 0.8513
809 LJ3 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3U40; Ligand: ADN; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 3u40.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4TXJ THM 21.4876
2 3KVY R2B 34.2975
3 3KVY R2B 34.2975
Pocket No.: 2; Query (leader) PDB : 3U40; Ligand: ADN; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 3u40.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4TXJ THM 21.4876
2 3KVY R2B 34.2975
3 3KVY R2B 34.2975
Pocket No.: 3; Query (leader) PDB : 3U40; Ligand: ADN; Similar sites found with APoc: 3
This union binding pocket(no: 3) in the query (biounit: 3u40.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4TXJ THM 21.4876
2 4TXJ THM 21.4876
3 1U1F 183 36.3636
Pocket No.: 4; Query (leader) PDB : 3U40; Ligand: ADN; Similar sites found with APoc: 3
This union binding pocket(no: 4) in the query (biounit: 3u40.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4TXJ THM 21.4876
2 4TXJ THM 21.4876
3 1U1F 183 36.3636
Pocket No.: 5; Query (leader) PDB : 3U40; Ligand: ADN; Similar sites found with APoc: 3
This union binding pocket(no: 5) in the query (biounit: 3u40.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4TXJ THM 21.4876
2 4TXJ THM 21.4876
3 1U1F 183 36.3636
Pocket No.: 6; Query (leader) PDB : 3U40; Ligand: ADN; Similar sites found with APoc: 1
This union binding pocket(no: 6) in the query (biounit: 3u40.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1U1F 183 36.3636
APoc FAQ
Feedback