Receptor
PDB id Resolution Class Description Source Keywords
1DKU 2.2 Å EC: 2.7.6.1 CRYSTAL STRUCTURES OF BACILLUS SUBTILIS PHOSPHORIBOSYLPYROPH SYNTHETASE: MOLECULAR BASIS OF ALLOSTERIC INHIBITION AND AC BACILLUS SUBTILIS OPEN ALPHA-BETA STRUCTURE DOMAIN DUPLICATION PHOSPHORIBOSYLTRANSFERASE TYPE I FOLD TRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE FUNCTION OF BACILLUS SUBTI PHOSPHORIBOSYL-PYROPHOSPHATE SYNTHETASE. NAT.STRUCT.BIOL. V. 7 303 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ABM A:1003;
B:1004;
 Valid;
Valid;
 none;
none;
 submit data
345.248 C11 H16 N5 O6 P C[P@]...
AP2 A:1002;
B:1001;
 Valid;
Valid;
 none;
none;
 submit data
425.228 C11 H17 N5 O9 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DKU 2.2 Å EC: 2.7.6.1 CRYSTAL STRUCTURES OF BACILLUS SUBTILIS PHOSPHORIBOSYLPYROPH SYNTHETASE: MOLECULAR BASIS OF ALLOSTERIC INHIBITION AND AC BACILLUS SUBTILIS OPEN ALPHA-BETA STRUCTURE DOMAIN DUPLICATION PHOSPHORIBOSYLTRANSFERASE TYPE I FOLD TRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE FUNCTION OF BACILLUS SUBTI PHOSPHORIBOSYL-PYROPHOSPHATE SYNTHETASE. NAT.STRUCT.BIOL. V. 7 303 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1DKU - AP2 C11 H17 N5 O9 P2 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 4 families.
1 1DKU - AP2 C11 H17 N5 O9 P2 c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5T3O - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1DKU - AP2 C11 H17 N5 O9 P2 c1nc(c2c(n....
3 2HCR - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ABM; Similar ligands found: 420
No: Ligand ECFP6 Tc MDL keys Tc
1 ABM 1 1
2 45A 1 1
3 AMP 0.833333 0.943662
4 A 0.833333 0.943662
5 M33 0.816901 0.958333
6 A2D 0.797101 0.917808
7 AMP MG 0.794118 0.929577
8 AP2 0.774648 0.881579
9 BA3 0.774648 0.917808
10 A12 0.774648 0.881579
11 SRA 0.768116 0.893333
12 ADP 0.763889 0.917808
13 AP5 0.763889 0.917808
14 B4P 0.763889 0.917808
15 AN2 0.753425 0.905405
16 AT4 0.753425 0.881579
17 PRX 0.746667 0.918919
18 AU1 0.743243 0.893333
19 CA0 0.743243 0.893333
20 ADX 0.743243 0.82716
21 50T 0.733333 0.905405
22 ATP 0.733333 0.917808
23 ACP 0.733333 0.893333
24 HEJ 0.733333 0.917808
25 KG4 0.733333 0.893333
26 ADP MG 0.72973 0.916667
27 ADP BEF 0.72973 0.916667
28 AR6 0.723684 0.917808
29 APR 0.723684 0.917808
30 AQP 0.723684 0.917808
31 APC 0.723684 0.881579
32 5FA 0.723684 0.917808
33 ADV 0.714286 0.881579
34 RBY 0.714286 0.881579
35 ADP PO3 0.714286 0.916667
36 AGS 0.714286 0.87013
37 ATP MG 0.714286 0.916667
38 AD9 0.714286 0.893333
39 8LE 0.708861 0.894737
40 5AL 0.708861 0.931507
41 ACQ 0.696203 0.893333
42 T99 0.696203 0.881579
43 ANP 0.696203 0.893333
44 TAT 0.696203 0.881579
45 APC MG 0.692308 0.891892
46 8LH 0.691358 0.906667
47 V2G 0.6875 0.848101
48 SON 0.684211 0.881579
49 BEF ADP 0.683544 0.891892
50 LMS 0.680556 0.804878
51 ATF 0.679012 0.881579
52 GAP 0.675 0.868421
53 QA7 0.674699 0.894737
54 8LQ 0.674699 0.906667
55 5AS 0.671053 0.77907
56 SRP 0.670732 0.881579
57 6YZ 0.670732 0.893333
58 5SV 0.666667 0.896104
59 8QN 0.666667 0.931507
60 9ZD 0.666667 0.907895
61 9ZA 0.666667 0.907895
62 HQG 0.662651 0.905405
63 PAJ 0.658824 0.860759
64 ANP MG 0.658537 0.905405
65 ALF ADP 0.658537 0.846154
66 VO4 ADP 0.658537 0.893333
67 MAP 0.654762 0.87013
68 A22 0.654762 0.905405
69 DAL AMP 0.654762 0.905405
70 RAB 0.651515 0.819444
71 ADN 0.651515 0.819444
72 XYA 0.651515 0.819444
73 25A 0.647059 0.917808
74 OOB 0.647059 0.905405
75 OZV 0.647059 0.917808
76 OAD 0.643678 0.918919
77 9X8 0.643678 0.894737
78 AOC 0.64 0.821918
79 A3R 0.639535 0.858974
80 AMO 0.639535 0.881579
81 4AD 0.639535 0.87013
82 A1R 0.639535 0.858974
83 ADQ 0.639535 0.893333
84 5N5 0.632353 0.794521
85 00A 0.632184 0.858974
86 JNT 0.632184 0.893333
87 DLL 0.632184 0.905405
88 AHX 0.632184 0.848101
89 ME8 0.629214 0.886076
90 TXA 0.629214 0.906667
91 3OD 0.629214 0.918919
92 1ZZ 0.629214 0.8625
93 PTJ 0.629214 0.871795
94 3UK 0.625 0.893333
95 A4D 0.623188 0.794521
96 5CD 0.623188 0.805556
97 EP4 0.619718 0.8
98 WAQ 0.617977 0.858974
99 PR8 0.617977 0.82716
100 B5V 0.617977 0.881579
101 LAD 0.617977 0.8375
102 M2T 0.611111 0.779221
103 FYA 0.611111 0.905405
104 BIS 0.611111 0.858974
105 NB8 0.611111 0.848101
106 B5M 0.608696 0.894737
107 B5Y 0.608696 0.894737
108 KMQ 0.608696 0.932432
109 3DH 0.608108 0.821918
110 ADP BMA 0.606742 0.868421
111 H1Q 0.604938 0.90411
112 MYR AMP 0.604396 0.839506
113 25L 0.604396 0.905405
114 MTA 0.60274 0.821918
115 9SN 0.597826 0.848101
116 A3P 0.594937 0.916667
117 7D5 0.594595 0.853333
118 JB6 0.593407 0.858974
119 FA5 0.591398 0.881579
120 ATP A 0.591398 0.90411
121 ATP A A A 0.591398 0.90411
122 DTA 0.589041 0.786667
123 XAH 0.585106 0.817073
124 G5A 0.583333 0.758621
125 GA7 0.583333 0.906667
126 6MZ 0.582278 0.957747
127 48N 0.581633 0.871795
128 YLP 0.581633 0.819277
129 A5A 0.581395 0.807229
130 TSB 0.579545 0.797619
131 3AM 0.578947 0.902778
132 4UV 0.578947 0.87013
133 DQV 0.57732 0.905405
134 GTA 0.57732 0.8625
135 A2P 0.575 0.902778
136 G3A 0.572917 0.848101
137 LEU LMS 0.571429 0.75
138 VMS 0.568182 0.788235
139 52H 0.568182 0.77907
140 54H 0.568182 0.788235
141 G5P 0.56701 0.848101
142 AFH 0.56701 0.8375
143 4UU 0.56701 0.87013
144 LSS 0.566667 0.761364
145 YLC 0.564356 0.839506
146 YLB 0.564356 0.819277
147 6RE 0.564103 0.7375
148 S4M 0.5625 0.72619
149 AMP DBH 0.5625 0.868421
150 53H 0.561798 0.77907
151 TAD 0.561224 0.8375
152 DND 0.56 0.881579
153 4UW 0.56 0.884615
154 9K8 0.55914 0.714286
155 SSA 0.556818 0.758621
156 AHZ 0.555556 0.839506
157 MAO 0.555556 0.825
158 LAQ 0.555556 0.817073
159 OMR 0.554455 0.851852
160 PAP 0.552941 0.90411
161 ZAS 0.551282 0.766234
162 ARG AMP 0.55102 0.785714
163 7MD 0.55102 0.817073
164 AR6 AR6 0.55102 0.891892
165 5AD 0.550725 0.771429
166 J7C 0.55 0.746835
167 IMO 0.55 0.876712
168 A3N 0.55 0.763158
169 NAD IBO 0.54902 0.891892
170 AP0 0.54902 0.896104
171 NAD TDB 0.54902 0.891892
172 2AM 0.545455 0.890411
173 TXD 0.544554 0.858974
174 NAX 0.544554 0.82716
175 UP5 0.544554 0.87013
176 NAI 0.544554 0.858974
177 6V0 0.544554 0.848101
178 8X1 0.544444 0.733333
179 5CA 0.544444 0.758621
180 NVA LMS 0.543478 0.752809
181 7D3 0.54321 0.831169
182 CNA 0.542857 0.881579
183 AYB 0.542857 0.809524
184 2A5 0.541176 0.844156
185 V3L 0.54023 0.917808
186 TXE 0.539216 0.858974
187 TYM 0.539216 0.881579
188 DSH 0.5375 0.725
189 7D4 0.535714 0.831169
190 ATR 0.534884 0.890411
191 LPA AMP 0.534653 0.795181
192 NWW 0.534247 0.736111
193 PPS 0.534091 0.804878
194 7MC 0.533981 0.819277
195 L3W 0.533981 0.881579
196 4TC 0.533981 0.848101
197 UPA 0.533981 0.858974
198 ADJ 0.533333 0.807229
199 T5A 0.533333 0.819277
200 YLA 0.533333 0.797619
201 NAD 0.53271 0.905405
202 NSS 0.532609 0.758621
203 DSZ 0.532609 0.758621
204 P5A 0.531915 0.725275
205 5X8 0.529412 0.763158
206 A4P 0.528846 0.77907
207 O02 0.528736 0.848101
208 OVE 0.525 0.855263
209 GJV 0.52439 0.728395
210 ALF ADP 3PG 0.524272 0.814815
211 AF3 ADP 3PG 0.524272 0.814815
212 IOT 0.52381 0.788235
213 A7D 0.52381 0.776316
214 F2R 0.523364 0.797619
215 A3D 0.522936 0.918919
216 139 0.518868 0.82716
217 COD 0.518519 0.790698
218 4TA 0.518519 0.807229
219 ITT 0.517647 0.864865
220 MHZ 0.517647 0.759036
221 SA8 0.517241 0.772152
222 A2R 0.516484 0.905405
223 GSU 0.515789 0.758621
224 KAA 0.515789 0.733333
225 DZD 0.513761 0.8375
226 SFG 0.511628 0.75
227 SAI 0.511364 0.734177
228 YLY 0.508929 0.831325
229 SAM 0.505618 0.753086
230 6IA 0.505618 0.860759
231 SMM 0.505495 0.746988
232 PO4 PO4 A A A A PO4 0.505263 0.876712
233 YSA 0.50505 0.758621
234 BTX 0.504587 0.797619
235 AMP NAD 0.504587 0.88
236 NAE 0.504425 0.894737
237 Y3J 0.5 0.726027
238 71V 0.5 0.858974
239 D5M 0.5 0.853333
240 NAQ 0.5 0.896104
241 A3G 0.5 0.776316
242 DA 0.5 0.853333
243 BT5 0.5 0.788235
244 A5D 0.5 0.786667
245 EEM 0.5 0.753086
246 NEC 0.5 0.746667
247 6AD 0.5 0.884615
248 7D7 0.5 0.743243
249 80F 0.495495 0.797619
250 8PZ 0.494949 0.758621
251 ARU 0.494737 0.8375
252 HFD 0.494382 0.87013
253 6C6 0.494382 0.857143
254 JSQ 0.494382 0.87013
255 SAH 0.494382 0.74359
256 B1U 0.49 0.717391
257 NA7 0.489583 0.881579
258 S7M 0.48913 0.731707
259 NWQ 0.4875 0.763889
260 EAD 0.487179 0.85
261 J4G 0.484536 0.87013
262 ZID 0.482759 0.893333
263 PGS 0.482759 0.8125
264 N0B 0.482759 0.797619
265 M24 0.482456 0.82716
266 7C5 0.480392 0.772152
267 K3K 0.48 0.779221
268 Z5A 0.478632 0.77907
269 AV2 0.478261 0.842105
270 D4F 0.478261 0.817073
271 2SA 0.478261 0.857143
272 NAJ PZO 0.477876 0.825
273 A3T 0.477273 0.821918
274 CUU 0.477273 0.891892
275 DAT 0.477273 0.831169
276 AAM 0.47619 0.943662
277 KOY 0.47619 0.779221
278 C2R 0.475 0.828947
279 AMZ 0.475 0.84
280 AVV 0.473684 0.848101
281 QXP 0.473684 0.724138
282 V47 0.473118 0.76
283 DTP 0.472527 0.831169
284 3AT 0.472527 0.891892
285 A3S 0.471264 0.786667
286 4YB 0.471154 0.741573
287 K3E 0.470588 0.769231
288 101 0.46988 0.853333
289 0UM 0.46875 0.719512
290 NO7 0.468085 0.857143
291 AIR 0.467532 0.875
292 AAT 0.467391 0.707317
293 WSA 0.46729 0.767442
294 649 0.46729 0.725275
295 N5O 0.464286 0.74026
296 62X 0.463918 0.72619
297 K2H 0.463918 0.779221
298 NIA 0.463415 0.777778
299 GGZ 0.463158 0.780488
300 NAJ PYZ 0.461538 0.785714
301 LQJ 0.460784 0.891892
302 QXG 0.459184 0.715909
303 K15 0.459184 0.722892
304 A6D 0.459184 0.722892
305 P1H 0.459016 0.829268
306 NDE 0.459016 0.881579
307 AS 0.458824 0.810127
308 6K6 0.458333 0.90411
309 GEK 0.458333 0.716049
310 38V 0.457627 0.817073
311 R2V 0.454545 0.724138
312 3AD 0.454545 0.805556
313 K2K 0.454545 0.716049
314 N5A 0.453488 0.714286
315 FB0 0.451613 0.784091
316 NDC 0.451613 0.848101
317 SXZ 0.45 0.710843
318 O05 0.45 0.77907
319 8Q2 0.449541 0.733333
320 N6P 0.44898 0.888889
321 26A 0.448718 0.786667
322 KY2 0.447917 0.710843
323 SO8 0.445652 0.789474
324 KY5 0.445545 0.725
325 FDA 0.444444 0.790698
326 2VA 0.444444 0.8
327 KL2 0.444444 0.813333
328 S8M 0.443299 0.759494
329 NJP 0.442478 0.87013
330 V1N 0.442308 0.917808
331 7RA 0.44186 0.930556
332 RMB 0.44186 0.873239
333 6FA 0.440945 0.819277
334 DDS 0.44086 0.805195
335 103 0.440476 0.863014
336 ACK 0.440476 0.861111
337 QQY 0.440476 0.815789
338 CC5 0.44 0.816901
339 KY8 0.44 0.728395
340 N01 0.439655 0.905405
341 KYB 0.438776 0.710843
342 EO7 0.436782 0.767442
343 8BR 0.436782 0.881579
344 DZ4 0.43617 0.810127
345 3D1 0.435897 0.75
346 3L1 0.435897 0.75
347 K2R 0.435644 0.831169
348 NVA 2AD 0.434783 0.759494
349 FAS 0.434109 0.829268
350 FAD 0.434109 0.829268
351 SFD 0.434109 0.715789
352 K3H 0.432692 0.772152
353 K2W 0.432692 0.719512
354 2BA 0.431818 0.888889
355 CMP 0.431818 0.901408
356 FNK 0.431818 0.764045
357 KB1 0.431373 0.698795
358 TM1 0.431373 0.732558
359 6MD 0.43038 0.833333
360 7RP 0.430233 0.901408
361 VRT 0.430108 0.769231
362 KXW 0.429907 0.707317
363 ODP 0.429825 0.8375
364 QQX 0.428571 0.805195
365 NAD BBN 0.427481 0.797619
366 PLP AAD 0.42735 0.793103
367 SLU 0.42735 0.75
368 K38 0.427184 0.75641
369 0WD 0.426087 0.848101
370 3NZ 0.425743 0.805195
371 NX8 0.425532 0.695122
372 5F1 0.425 0.710526
373 SP1 0.423529 0.842105
374 RP1 0.423529 0.842105
375 9JJ 0.423358 0.817073
376 7DD 0.422222 0.90411
377 OZP 0.422018 0.707317
378 NAD CJ3 0.421053 0.770115
379 62F 0.421053 0.839506
380 NZQ 0.421053 0.8375
381 ANZ 0.420561 0.777778
382 APU 0.419643 0.846154
383 KYE 0.419048 0.694118
384 RBZ 0.418605 0.849315
385 D3Y 0.418367 0.766234
386 FAY 0.41791 0.839506
387 MTP 0.417722 0.753247
388 G 0.417582 0.857143
389 5GP 0.417582 0.857143
390 KH3 0.416667 0.714286
391 RFL 0.414815 0.821429
392 N37 0.414414 0.7125
393 NAD NDT 0.414286 0.708333
394 NMN AMP PO4 0.413793 0.846154
395 2FA 0.4125 0.789474
396 NPW 0.412281 0.817073
397 NDP 0.412281 0.848101
398 ETB 0.411765 0.833333
399 DCA 0.411765 0.781609
400 F0P 0.410714 0.707317
401 NAP 0.409836 0.893333
402 RGT 0.409524 0.881579
403 P2P 0.409091 0.876712
404 FAI 0.409091 0.84
405 TXP 0.408696 0.848101
406 7DT 0.408602 0.90411
407 NWZ 0.408602 0.682927
408 G 6MZ C 0.408602 0.902778
409 1RB 0.406977 0.859155
410 128 0.405405 0.715909
411 HY8 0.405405 0.710843
412 9BG 0.405172 0.825
413 COA 0.404959 0.781609
414 0T1 0.404959 0.781609
415 NA0 0.403226 0.906667
416 NHD 0.401709 0.88
417 F2N 0.401408 0.772727
418 12D 0.4 0.724138
419 PMO 0.4 0.875
420 HZ2 0.4 0.710843
Ligand no: 2; Ligand: AP2; Similar ligands found: 395
No: Ligand ECFP6 Tc MDL keys Tc
1 AP2 1 1
2 A12 1 1
3 APC 0.821918 1
4 ADV 0.810811 0.972973
5 RBY 0.810811 0.972973
6 A 0.808824 0.931507
7 AMP 0.808824 0.931507
8 ACP 0.808219 0.986301
9 ABM 0.774648 0.881579
10 A2D 0.774648 0.932432
11 45A 0.774648 0.881579
12 AMP MG 0.771429 0.891892
13 BA3 0.753425 0.932432
14 SRA 0.746479 0.883117
15 B4P 0.743243 0.932432
16 AP5 0.743243 0.932432
17 ADP 0.743243 0.958904
18 AT4 0.733333 0.921053
19 AN2 0.733333 0.945946
20 M33 0.723684 0.92
21 ADX 0.723684 0.841463
22 CA0 0.723684 0.907895
23 AU1 0.723684 0.933333
24 ACQ 0.721519 0.986301
25 HEJ 0.714286 0.958904
26 ATP 0.714286 0.958904
27 KG4 0.714286 0.907895
28 50T 0.714286 0.92
29 ADP BEF 0.710526 0.905405
30 ADP MG 0.710526 0.905405
31 5FA 0.705128 0.958904
32 PRX 0.705128 0.858974
33 APR 0.705128 0.932432
34 AR6 0.705128 0.932432
35 AQP 0.705128 0.958904
36 AD9 0.696203 0.933333
37 ADP PO3 0.696203 0.905405
38 ATP MG 0.696203 0.905405
39 APC MG 0.696203 0.932432
40 AGS 0.696203 0.909091
41 6YZ 0.695122 0.986301
42 SON 0.688312 0.946667
43 O02 0.6875 0.960526
44 ANP 0.679012 0.933333
45 TAT 0.679012 0.921053
46 GAP 0.679012 0.858974
47 T99 0.679012 0.921053
48 5AL 0.670732 0.894737
49 V2G 0.670732 0.886076
50 8LE 0.670732 0.860759
51 BEF ADP 0.666667 0.881579
52 ATF 0.662651 0.921053
53 LMS 0.662162 0.797619
54 SRP 0.654762 0.896104
55 8LH 0.654762 0.871795
56 9ZA 0.651163 0.873418
57 9ZD 0.651163 0.873418
58 HQG 0.647059 0.945946
59 AMO 0.643678 0.921053
60 4AD 0.643678 0.909091
61 VO4 ADP 0.642857 0.907895
62 ANP MG 0.642857 0.894737
63 ALF ADP 0.642857 0.8375
64 MAP 0.639535 0.909091
65 DAL AMP 0.639535 0.87013
66 8LQ 0.639535 0.896104
67 A22 0.639535 0.945946
68 QA7 0.639535 0.860759
69 RAB 0.632353 0.810811
70 ADN 0.632353 0.810811
71 XYA 0.632353 0.810811
72 OZV 0.632184 0.932432
73 OOB 0.632184 0.894737
74 8QN 0.632184 0.894737
75 5SV 0.632184 0.839506
76 25A 0.632184 0.932432
77 TAD 0.631579 0.923077
78 A3R 0.625 0.922078
79 A1R 0.625 0.922078
80 ADQ 0.625 0.907895
81 PAJ 0.625 0.851852
82 AOC 0.623377 0.789474
83 B5V 0.622222 0.871795
84 JNT 0.617977 0.933333
85 DLL 0.617977 0.894737
86 00A 0.617977 0.85
87 AHX 0.617977 0.886076
88 5N5 0.614286 0.786667
89 5AS 0.6125 0.752809
90 9X8 0.611111 0.884615
91 OAD 0.611111 0.907895
92 3UK 0.611111 0.883117
93 5CD 0.605634 0.773333
94 A4D 0.605634 0.786667
95 LAD 0.604396 0.875
96 PR8 0.604396 0.864198
97 WAQ 0.604396 0.897436
98 ME8 0.597826 0.831325
99 NB8 0.597826 0.886076
100 1ZZ 0.597826 0.831325
101 PTJ 0.597826 0.8625
102 BIS 0.597826 0.897436
103 TXA 0.597826 0.896104
104 FYA 0.597826 0.894737
105 3OD 0.597826 0.907895
106 M2T 0.594595 0.707317
107 ADP BMA 0.593407 0.883117
108 MYR AMP 0.591398 0.809524
109 25L 0.591398 0.945946
110 9SN 0.585106 0.839506
111 EP4 0.581081 0.725
112 O05 0.580645 0.879518
113 JB6 0.580645 0.873418
114 A3P 0.580247 0.931507
115 7D5 0.578947 0.868421
116 ATP A 0.578947 0.893333
117 B5M 0.578947 0.860759
118 KMQ 0.578947 0.896104
119 ATP A A A 0.578947 0.893333
120 FA5 0.578947 0.896104
121 B5Y 0.578947 0.860759
122 DTA 0.573333 0.779221
123 XAH 0.572917 0.853659
124 GA7 0.571429 0.896104
125 AFH 0.571429 0.875
126 3DH 0.571429 0.74359
127 H1Q 0.571429 0.868421
128 G5A 0.569767 0.772727
129 4TC 0.568627 0.910256
130 4UV 0.56701 0.860759
131 MTA 0.565789 0.74359
132 UP5 0.564356 0.884615
133 3AM 0.564103 0.891892
134 G3A 0.561224 0.886076
135 A2P 0.560976 0.917808
136 DZD 0.560748 0.923077
137 LAQ 0.56 0.831325
138 4UU 0.555556 0.860759
139 G5P 0.555556 0.886076
140 ARG AMP 0.555556 0.821429
141 LPA AMP 0.554455 0.809524
142 AMP DBH 0.55102 0.858974
143 A5A 0.550562 0.77907
144 6RE 0.55 0.753086
145 DQV 0.55 0.92
146 GTA 0.55 0.853659
147 TSB 0.549451 0.790698
148 NAX 0.54902 0.864198
149 4UW 0.54902 0.829268
150 S4M 0.548781 0.681818
151 AHZ 0.544554 0.788235
152 SSA 0.544444 0.793103
153 PAP 0.54023 0.945205
154 7MD 0.54 0.853659
155 AR6 AR6 0.54 0.881579
156 YLP 0.539216 0.833333
157 48N 0.539216 0.886076
158 52H 0.538462 0.752809
159 VMS 0.538462 0.761364
160 54H 0.538462 0.761364
161 ZAS 0.5375 0.7375
162 IMO 0.536585 0.891892
163 J7C 0.536585 0.7625
164 A3N 0.536585 0.75641
165 NAI 0.533981 0.873418
166 TXD 0.533981 0.873418
167 DND 0.533981 0.896104
168 6V0 0.533981 0.8625
169 5CA 0.532609 0.793103
170 8X1 0.532609 0.747253
171 53H 0.532609 0.752809
172 2AM 0.531646 0.905405
173 7D3 0.53012 0.894737
174 6MZ 0.53012 0.893333
175 TXE 0.528846 0.873418
176 AF3 ADP 3PG 0.528846 0.829268
177 OMR 0.528846 0.843373
178 ALF ADP 3PG 0.528846 0.829268
179 TYM 0.528846 0.896104
180 2A5 0.528736 0.907895
181 GP2 0.52809 0.923077
182 V3L 0.52809 0.932432
183 DSH 0.52439 0.740741
184 UPA 0.52381 0.873418
185 L3W 0.52381 0.896104
186 YLB 0.52381 0.833333
187 YLC 0.52381 0.853659
188 MAO 0.52381 0.77381
189 AP0 0.52381 0.8625
190 7D4 0.523256 0.894737
191 ATR 0.522727 0.931507
192 PPS 0.522222 0.841463
193 NSS 0.521277 0.793103
194 DSZ 0.521277 0.793103
195 LSS 0.521277 0.755556
196 P5A 0.520833 0.758242
197 NWW 0.52 0.72973
198 A4P 0.518868 0.813953
199 5X8 0.517241 0.75641
200 NYZ 0.516854 0.923077
201 NVA LMS 0.515789 0.747253
202 9K8 0.515464 0.691489
203 IOT 0.514019 0.845238
204 5AD 0.513889 0.716216
205 OVE 0.512195 0.87013
206 GJV 0.511905 0.743902
207 LEU LMS 0.510417 0.725275
208 NAD IBO 0.509434 0.881579
209 7MC 0.509434 0.833333
210 NAD TDB 0.509434 0.881579
211 ADJ 0.509259 0.843373
212 T5A 0.509259 0.855422
213 139 0.509259 0.864198
214 YLA 0.509259 0.833333
215 ITT 0.505747 0.905405
216 A2R 0.505376 0.945946
217 GSU 0.505155 0.772727
218 KAA 0.505155 0.766667
219 AYB 0.504587 0.823529
220 CNA 0.504587 0.896104
221 F2R 0.5 0.855422
222 38V 0.5 0.924051
223 6C6 0.5 0.896104
224 SFG 0.5 0.766234
225 BTX 0.495495 0.855422
226 NAD 0.495495 0.894737
227 COD 0.495495 0.825581
228 AMP NAD 0.495495 0.87013
229 4TA 0.495495 0.821429
230 YSA 0.49505 0.772727
231 SMM 0.494624 0.701149
232 SAM 0.494505 0.705882
233 A7D 0.494253 0.792208
234 BT5 0.491071 0.845238
235 SA8 0.488889 0.722892
236 A5D 0.488889 0.779221
237 MHZ 0.488636 0.712644
238 71V 0.488372 0.873418
239 A3G 0.488095 0.792208
240 M24 0.486957 0.819277
241 Y3J 0.486842 0.697368
242 80F 0.486726 0.833333
243 A3D 0.486726 0.883117
244 7D7 0.486486 0.736842
245 8PZ 0.485149 0.793103
246 HFD 0.483516 0.909091
247 SAH 0.483516 0.759494
248 JSQ 0.483516 0.909091
249 SAI 0.483516 0.75
250 CUU 0.483146 0.958904
251 B1U 0.480392 0.712766
252 PO4 PO4 A A A A PO4 0.479592 0.866667
253 S7M 0.478723 0.705882
254 6IA 0.478261 0.829268
255 3AT 0.478261 0.958904
256 J4G 0.474747 0.909091
257 YLY 0.474138 0.823529
258 EEM 0.473118 0.705882
259 6AD 0.473118 0.875
260 PGS 0.47191 0.85
261 7C5 0.471154 0.7875
262 DA 0.470588 0.893333
263 D5M 0.470588 0.893333
264 K3K 0.470588 0.772152
265 NEC 0.470588 0.717949
266 NAE 0.470085 0.860759
267 D4F 0.470085 0.809524
268 NIA 0.46988 0.792683
269 NAJ PZO 0.469565 0.817073
270 2SA 0.468085 0.921053
271 AV2 0.468085 0.881579
272 KOY 0.46729 0.772152
273 NAQ 0.466102 0.839506
274 AAM 0.465116 0.931507
275 NA7 0.464646 0.972973
276 GEK 0.463918 0.753086
277 QXP 0.463918 0.758621
278 AMZ 0.463415 0.88
279 C2R 0.463415 0.868421
280 V47 0.463158 0.753247
281 4YB 0.462264 0.755556
282 ZID 0.462185 0.883117
283 N0B 0.462185 0.833333
284 3AD 0.461538 0.797297
285 K3E 0.461538 0.7625
286 A3S 0.460674 0.802632
287 101 0.458824 0.868421
288 WSA 0.458716 0.781609
289 NO7 0.458333 0.896104
290 Z5A 0.458333 0.772727
291 NWQ 0.457831 0.710526
292 AAT 0.457447 0.722892
293 AIR 0.455696 0.864865
294 EAD 0.454545 0.841463
295 ARU 0.454545 0.829268
296 NAJ PYZ 0.453782 0.77907
297 GGZ 0.453608 0.795181
298 N5O 0.453488 0.75641
299 LQJ 0.451923 0.881579
300 DAT 0.450549 0.92
301 A3T 0.450549 0.789474
302 A6D 0.45 0.717647
303 QXG 0.45 0.75
304 6K6 0.44898 0.893333
305 AVV 0.44898 0.910256
306 DTP 0.446809 0.92
307 R2V 0.445545 0.758621
308 649 0.445455 0.758242
309 0UM 0.444444 0.714286
310 N5A 0.443182 0.730769
311 8BR 0.443182 0.871795
312 8Q2 0.441441 0.766667
313 NDE 0.44 0.896104
314 62X 0.44 0.681818
315 P1H 0.44 0.821429
316 K2H 0.44 0.728395
317 N6P 0.44 0.878378
318 KY2 0.438776 0.746988
319 G2P 0.438776 0.923077
320 K15 0.435644 0.697674
321 S8M 0.434343 0.775
322 V1N 0.433962 0.881579
323 KL2 0.433735 0.805195
324 FB0 0.433071 0.83908
325 NDC 0.433071 0.8625
326 PLP AAD 0.432203 0.728261
327 7RA 0.431818 0.918919
328 AS 0.431818 0.848101
329 K2K 0.431373 0.753086
330 ACK 0.430233 0.826667
331 QQY 0.430233 0.78481
332 KYB 0.43 0.746988
333 CC5 0.428571 0.808219
334 GCP 0.428571 0.910256
335 SXZ 0.427184 0.72619
336 K2R 0.427184 0.87013
337 EO7 0.426966 0.761364
338 FDA 0.426357 0.825581
339 K2W 0.424528 0.756098
340 6FA 0.423077 0.833333
341 KB1 0.423077 0.714286
342 KY5 0.423077 0.740741
343 TM1 0.423077 0.747126
344 NJP 0.422414 0.909091
345 2BA 0.422222 0.878378
346 CMP 0.422222 0.864865
347 7RP 0.420455 0.890411
348 2VA 0.419355 0.769231
349 K38 0.419048 0.75
350 0WD 0.418803 0.886076
351 QQX 0.418605 0.775
352 KY8 0.417476 0.743902
353 NPW 0.417391 0.876543
354 FAD 0.416667 0.843373
355 SFD 0.416667 0.729167
356 FAS 0.416667 0.843373
357 DDS 0.416667 0.868421
358 NX8 0.416667 0.731707
359 RMB 0.41573 0.837838
360 SP1 0.413793 0.810127
361 1RB 0.413793 0.849315
362 RP1 0.413793 0.810127
363 7DD 0.413043 0.945205
364 ANZ 0.412844 0.771084
365 DZ4 0.412371 0.896104
366 APU 0.412281 0.860759
367 FAY 0.411765 0.853659
368 KYE 0.411215 0.729412
369 K3H 0.411215 0.722892
370 NVA 2AD 0.410526 0.753086
371 ODP 0.410256 0.875
372 D3Y 0.41 0.782051
373 KXW 0.409091 0.722892
374 5GP 0.408602 0.871795
375 G 0.408602 0.871795
376 SLU 0.408333 0.744444
377 3L1 0.407407 0.789474
378 3D1 0.407407 0.789474
379 SO8 0.40625 0.759494
380 VRT 0.40625 0.7625
381 NDP 0.405172 0.886076
382 FNK 0.404412 0.797753
383 62F 0.404412 0.853659
384 3NZ 0.403846 0.775
385 26A 0.402439 0.734177
386 2FA 0.402439 0.782051
387 RGT 0.401869 0.921053
388 OZP 0.401786 0.743902
389 NZQ 0.401709 0.898734
390 TXP 0.401709 0.886076
391 7DT 0.4 0.945205
392 FAI 0.4 0.88
393 P2P 0.4 0.866667
394 NWZ 0.4 0.719512
395 NAD BBN 0.4 0.811765
Similar Ligands (3D)
Ligand no: 1; Ligand: ABM; Similar ligands found: 39
No: Ligand Similarity coefficient
1 IMP 0.9851
2 FMP 0.9642
3 6MA 0.9558
4 IMU 0.9466
5 XMP 0.9450
6 8OP 0.9447
7 MZP 0.9438
8 IRP 0.9430
9 DGP 0.9326
10 Z8B 0.9297
11 UP6 0.9288
12 6CG 0.9273
13 FNU 0.9272
14 RVP 0.9230
15 8GM 0.9228
16 DI 0.9214
17 G7M 0.9165
18 NYM 0.9164
19 PFU 0.9161
20 8OG 0.9117
21 6OG 0.9107
22 93A 0.9107
23 JLN 0.9106
24 UFP 0.9095
25 DG 0.9093
26 FDM 0.9060
27 9L3 0.9014
28 PSU 0.9003
29 GDP 0.8881
30 FMC 0.8866
31 MCF 0.8838
32 NOS 0.8818
33 K8W 0.8786
34 AD3 0.8685
35 TBN 0.8676
36 FGN 0.8669
37 EU2 0.8666
38 MTE 0.8646
39 9ZS 0.8584
Ligand no: 2; Ligand: AP2; Similar ligands found: 18
No: Ligand Similarity coefficient
1 GDP 0.9265
2 UDP 0.9215
3 IDP 0.9200
4 CDP 0.9182
5 M7G 0.9114
6 TYD 0.9086
7 GNH 0.8925
8 IRP 0.8791
9 IMP 0.8789
10 IMU 0.8775
11 GCQ 0.8773
12 DGI 0.8763
13 FMP 0.8744
14 44P 0.8740
15 DUN 0.8702
16 MGT 0.8634
17 8GD 0.8604
18 7XL 0.8551
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DKU; Ligand: AP2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1dku.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1DKU; Ligand: AP2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1dku.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1DKU; Ligand: AP2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1dku.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1DKU; Ligand: ABM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1dku.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1DKU; Ligand: ABM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1dku.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1DKU; Ligand: ABM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1dku.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1DKU; Ligand: ABM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1dku.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1DKU; Ligand: ABM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1dku.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1DKU; Ligand: ABM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1dku.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1DKU; Ligand: AP2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1dku.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1DKU; Ligand: AP2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1dku.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1DKU; Ligand: AP2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1dku.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1DKU; Ligand: AP2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 1dku.bio3) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1DKU; Ligand: ABM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 1dku.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 1DKU; Ligand: ABM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 1dku.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 1DKU; Ligand: AP2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 1dku.bio3) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 1DKU; Ligand: AP2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 1dku.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 1DKU; Ligand: ABM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 1dku.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 1DKU; Ligand: ABM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 1dku.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 1DKU; Ligand: AP2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 1dku.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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