Receptor
PDB id Resolution Class Description Source Keywords
2A9Z 1.35 Å EC: 2.7.1.20 CRYSTAL STRUCTURE OF T. GONDII ADENOSINE KINASE COMPLEXED WI DIMETHYLADENOSINE AND AMP-PCP TOXOPLASMA GONDII RIBOKINASE FOLD; ALPHA/BETA; INTERMEDIATE CONFORMATION SIGNPROTEIN TRANSFERASE
Ref.: SUBSTRATE ANALOGS INDUCE AN INTERMEDIATE CONFORMATI CHANGE IN TOXOPLASMA GONDII ADENOSINE KINASE ACTA CRYSTALLOGR.,SECT.D V. 63 126 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
26A A:1001;
A:1002;
 Valid;
Valid;
 none;
none;
 submit data
295.294 C12 H17 N5 O4 CN(C)...
ACP A:1005;
 Valid;
 none;
 submit data
505.208 C11 H18 N5 O12 P3 c1nc(...
CL A:2001;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
NA A:2002;
A:2003;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ABS 1.1 Å EC: 2.7.1.20 CRYSTAL STRUCTURE OF T. GONDII ADENOSINE KINASE COMPLEXED WI TOXOPLASMA GONDII RIBOKINASE FOLD; ALPHA/BETA; INTERMEDIATE CONFORMATION SIGNPROTEIN TRANSFERASE
Ref.: STRUCTURE OF TOXOPLASMA GONDII ADENOSINE KINASE IN WITH AN ATP ANALOG AT 1.1 ANGSTROMS RESOLUTION. ACTA CRYSTALLOGR.,SECT.D V. 62 140 2006
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2A9Z - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 2A9Y - 26A C12 H17 N5 O4 CN(C)c1c2c....
3 2AA0 - MTP C11 H14 N4 O4 S CSc1c2c(nc....
4 2ABS - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
5 1DGM - ADN C10 H13 N5 O4 c1nc(c2c(n....
6 1LIJ - RPP C10 H14 I N5 O4 c1nc(c2c(n....
7 1LII - ADN C10 H13 N5 O4 c1nc(c2c(n....
8 2AB8 - MTP C11 H14 N4 O4 S CSc1c2c(nc....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2A9Z - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 2A9Y - 26A C12 H17 N5 O4 CN(C)c1c2c....
3 2AA0 - MTP C11 H14 N4 O4 S CSc1c2c(nc....
4 2ABS - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
5 1DGM - ADN C10 H13 N5 O4 c1nc(c2c(n....
6 1LIJ - RPP C10 H14 I N5 O4 c1nc(c2c(n....
7 1LII - ADN C10 H13 N5 O4 c1nc(c2c(n....
8 2AB8 - MTP C11 H14 N4 O4 S CSc1c2c(nc....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2A9Z - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 2A9Y - 26A C12 H17 N5 O4 CN(C)c1c2c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 26A; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 26A 1 1
2 RAB 0.606557 0.893939
3 XYA 0.606557 0.893939
4 ADN 0.606557 0.893939
5 MTP 0.578125 0.869565
6 6MD 0.569231 0.938462
7 EP4 0.552239 0.897059
8 GLU GMC 0.52381 0.876712
9 1DA 0.522388 0.893939
10 ERJ 0.506849 0.878788
11 MTA 0.492958 0.867647
12 5N5 0.492537 0.865672
13 A4D 0.485294 0.865672
14 5CD 0.485294 0.823529
15 M2T 0.478873 0.871429
16 2FA 0.478261 0.830986
17 MAO 0.474359 0.75
18 6CR 0.464789 0.819444
19 3DH 0.459459 0.84058
20 DTA 0.458333 0.777778
21 ERS 0.45679 0.84507
22 45A 0.448718 0.786667
23 ABM 0.448718 0.786667
24 A 0.447368 0.76
25 AMP 0.447368 0.76
26 ARU 0.43956 0.7625
27 M33 0.439024 0.8
28 MHZ 0.439024 0.75
29 ERP 0.433735 0.865672
30 ADP 0.432099 0.763158
31 A2D 0.43038 0.763158
32 IMO 0.43038 0.746667
33 ZAS 0.428571 0.756757
34 LMS 0.428571 0.670588
35 AN2 0.426829 0.753247
36 6MZ 0.425 0.797297
37 S4M 0.425 0.759494
38 SA8 0.423529 0.786667
39 SRA 0.423077 0.721519
40 AMP MG 0.423077 0.77027
41 6RE 0.423077 0.75
42 ADX 0.421687 0.690476
43 BA3 0.419753 0.763158
44 AOC 0.417722 0.84058
45 DSH 0.417722 0.783784
46 ATP 0.416667 0.763158
47 HEJ 0.416667 0.763158
48 IVH 0.414634 0.779221
49 5AS 0.414634 0.670455
50 B4P 0.414634 0.763158
51 AP5 0.414634 0.763158
52 J7C 0.4125 0.76
53 A3N 0.4125 0.855072
54 MZR 0.411765 0.768116
55 AQP 0.411765 0.763158
56 PRX 0.411765 0.74359
57 5FA 0.411765 0.763158
58 5AD 0.411765 0.787879
59 AD3 0.410959 0.893939
60 AT4 0.409639 0.734177
61 5AL 0.409091 0.753247
62 K3H 0.408163 0.861111
63 GJV 0.407407 0.74026
64 AD9 0.406977 0.74359
65 AGS 0.406977 0.725
66 CA0 0.404762 0.74359
67 ITT 0.404762 0.76
68 EKK 0.402778 0.828571
69 AP2 0.402439 0.734177
70 A12 0.402439 0.734177
71 8QN 0.402174 0.753247
72 5X8 0.4 0.802817
73 ACP 0.4 0.74359
74 50T 0.4 0.753247
75 KG4 0.4 0.74359
76 8LH 0.4 0.75641
Ligand no: 2; Ligand: ACP; Similar ligands found: 424
No: Ligand ECFP6 Tc MDL keys Tc
1 ACP 1 1
2 ACQ 0.866667 1
3 A2D 0.857143 0.945205
4 6YZ 0.833333 1
5 BA3 0.833333 0.945205
6 B4P 0.821918 0.945205
7 AP5 0.821918 0.945205
8 ADP 0.821918 0.972222
9 AT4 0.810811 0.933333
10 AN2 0.810811 0.958904
11 A12 0.808219 0.986301
12 AP2 0.808219 0.986301
13 M33 0.8 0.932432
14 HEJ 0.789474 0.972222
15 ATP 0.789474 0.972222
16 AR6 0.779221 0.945205
17 5FA 0.779221 0.972222
18 APR 0.779221 0.945205
19 AQP 0.779221 0.972222
20 AGS 0.769231 0.921053
21 AD9 0.769231 0.945946
22 AMP 0.763889 0.944444
23 A 0.763889 0.944444
24 APC 0.75641 0.986301
25 ADX 0.753247 0.851852
26 CA0 0.753247 0.92
27 ANP 0.75 0.945946
28 KG4 0.74359 0.92
29 50T 0.74359 0.932432
30 PRX 0.734177 0.87013
31 ABM 0.733333 0.893333
32 45A 0.733333 0.893333
33 ATF 0.731707 0.933333
34 AMP MG 0.72973 0.90411
35 HQG 0.714286 0.958904
36 SRA 0.706667 0.894737
37 A22 0.705882 0.958904
38 RBY 0.703704 0.959459
39 ADV 0.703704 0.959459
40 5AL 0.698795 0.906667
41 8LE 0.698795 0.871795
42 ADP BEF 0.696203 0.917808
43 ADP MG 0.696203 0.917808
44 A3R 0.689655 0.909091
45 ADQ 0.689655 0.92
46 A1R 0.689655 0.909091
47 AU1 0.6875 0.945946
48 T99 0.686747 0.933333
49 TAT 0.686747 0.933333
50 APC MG 0.682927 0.918919
51 SRP 0.682353 0.907895
52 8LH 0.682353 0.883117
53 JNT 0.681818 0.945946
54 OAD 0.674157 0.92
55 9X8 0.674157 0.896104
56 4TC 0.673469 0.922078
57 4AD 0.670455 0.921053
58 AMO 0.670455 0.933333
59 8LQ 0.666667 0.907895
60 QA7 0.666667 0.871795
61 00A 0.662921 0.860759
62 ADP PO3 0.662651 0.917808
63 ATP MG 0.662651 0.917808
64 3OD 0.659341 0.92
65 BIS 0.659341 0.909091
66 OOB 0.659091 0.906667
67 5SV 0.659091 0.82716
68 25A 0.659091 0.945205
69 8QN 0.659091 0.906667
70 OZV 0.659091 0.945205
71 BEF ADP 0.654762 0.893333
72 SON 0.654321 0.933333
73 25L 0.652174 0.958904
74 PAJ 0.651685 0.8625
75 AHX 0.644444 0.897436
76 DLL 0.644444 0.906667
77 TXA 0.641304 0.907895
78 V2G 0.639535 0.897436
79 KMQ 0.638298 0.907895
80 3UK 0.637363 0.894737
81 VO4 ADP 0.632184 0.92
82 ANP MG 0.632184 0.906667
83 ALF ADP 0.632184 0.848101
84 B5V 0.630435 0.883117
85 PR8 0.630435 0.851852
86 LAD 0.630435 0.8625
87 WAQ 0.630435 0.884615
88 MAP 0.629214 0.921053
89 LMS 0.628205 0.807229
90 GAP 0.627907 0.87013
91 ME8 0.623656 0.841463
92 1ZZ 0.623656 0.819277
93 PTJ 0.623656 0.873418
94 NB8 0.623656 0.897436
95 FYA 0.623656 0.906667
96 UP5 0.62 0.896104
97 G3A 0.618557 0.897436
98 AFH 0.612245 0.886076
99 G5P 0.612245 0.897436
100 9SN 0.610526 0.85
101 DQV 0.606061 0.932432
102 GTA 0.606061 0.864198
103 9ZA 0.604396 0.884615
104 9ZD 0.604396 0.884615
105 B5M 0.604167 0.871795
106 FA5 0.604167 0.907895
107 B5Y 0.604167 0.871795
108 TXD 0.60396 0.884615
109 XAH 0.597938 0.841463
110 RAB 0.597222 0.821918
111 ADN 0.597222 0.821918
112 XYA 0.597222 0.821918
113 GA7 0.59596 0.907895
114 48N 0.594059 0.897436
115 DAL AMP 0.593407 0.881579
116 2A5 0.593023 0.92
117 AOC 0.592593 0.8
118 4UV 0.591837 0.871795
119 DND 0.588235 0.907895
120 NAI 0.588235 0.884615
121 6V0 0.588235 0.873418
122 NAX 0.588235 0.875
123 PAP 0.586207 0.958333
124 ATR 0.586207 0.944444
125 ADP BMA 0.585106 0.894737
126 LAQ 0.584158 0.819277
127 5AS 0.583333 0.761364
128 TXE 0.582524 0.884615
129 OMR 0.582524 0.831325
130 5N5 0.581081 0.797297
131 4UU 0.58 0.871795
132 7D3 0.578313 0.881579
133 AP0 0.576923 0.873418
134 L3W 0.576923 0.907895
135 A4D 0.573333 0.797297
136 5CD 0.573333 0.783784
137 JB6 0.572917 0.884615
138 4UW 0.572816 0.839506
139 A4P 0.571429 0.823529
140 CNA 0.570093 0.907895
141 ITT 0.569767 0.917808
142 7D4 0.569767 0.881579
143 A2R 0.565217 0.958904
144 M2T 0.564103 0.716049
145 YLP 0.563107 0.821429
146 O02 0.561798 0.947368
147 T5A 0.560748 0.843373
148 ADJ 0.560748 0.831325
149 139 0.560748 0.851852
150 TAD 0.558824 0.910256
151 ATP A A A 0.555556 0.905405
152 ATP A 0.555556 0.905405
153 A3P 0.552941 0.944444
154 TYM 0.552381 0.907895
155 IOT 0.551402 0.833333
156 EP4 0.551282 0.734177
157 MYR AMP 0.55102 0.797619
158 F2R 0.550459 0.865854
159 7D5 0.55 0.855263
160 80F 0.54955 0.843373
161 A3D 0.54955 0.894737
162 GCP 0.548387 0.922078
163 YLC 0.54717 0.841463
164 YLB 0.54717 0.821429
165 UPA 0.54717 0.884615
166 COD 0.545455 0.813953
167 H1Q 0.545455 0.88
168 NAD 0.545455 0.906667
169 JSQ 0.544444 0.921053
170 G5A 0.544444 0.781609
171 HFD 0.544444 0.921053
172 DTA 0.544304 0.766234
173 3DH 0.54321 0.753247
174 DZD 0.540541 0.910256
175 AHZ 0.538462 0.797619
176 MTA 0.5375 0.753247
177 3AM 0.536585 0.90411
178 A2P 0.534884 0.930556
179 AR6 AR6 0.533981 0.893333
180 PPS 0.532609 0.851852
181 6AD 0.532609 0.886076
182 YLA 0.53211 0.821429
183 AMP DBH 0.529412 0.87013
184 AYB 0.527273 0.811765
185 A5A 0.526882 0.788235
186 TSB 0.526316 0.8
187 6RE 0.52381 0.7625
188 S4M 0.523256 0.670455
189 38V 0.521368 0.911392
190 SSA 0.521277 0.802326
191 NA7 0.520408 0.959459
192 7MD 0.519231 0.864198
193 ARG AMP 0.519231 0.831325
194 LPA AMP 0.518868 0.797619
195 BTX 0.517857 0.843373
196 NAE 0.517241 0.871795
197 52H 0.515789 0.761364
198 VMS 0.515789 0.770115
199 NO7 0.515789 0.907895
200 54H 0.515789 0.770115
201 BT5 0.513274 0.833333
202 NAQ 0.512821 0.85
203 ZAS 0.511905 0.746835
204 A3N 0.511628 0.766234
205 IMO 0.511628 0.90411
206 J7C 0.511628 0.772152
207 CUU 0.511111 0.972222
208 AV2 0.510638 0.893333
209 53H 0.510417 0.761364
210 5CA 0.510417 0.802326
211 8X1 0.510417 0.755556
212 ARU 0.510204 0.839506
213 AF3 ADP 3PG 0.509259 0.839506
214 ALF ADP 3PG 0.509259 0.839506
215 M24 0.508621 0.829268
216 ZID 0.508475 0.894737
217 2AM 0.506024 0.917808
218 6MZ 0.505747 0.905405
219 V3L 0.505376 0.945205
220 3AT 0.505376 0.972222
221 AVV 0.505155 0.897436
222 NAD TDB 0.504587 0.893333
223 NAD IBO 0.504587 0.893333
224 DSZ 0.5 0.802326
225 EAD 0.5 0.851852
226 MAO 0.5 0.761905
227 NSS 0.5 0.802326
228 P5A 0.5 0.747253
229 DSH 0.5 0.728395
230 LSS 0.5 0.764045
231 YLY 0.495726 0.811765
232 9K8 0.49505 0.698925
233 NVA LMS 0.494949 0.755556
234 DAT 0.494505 0.906667
235 5X8 0.494505 0.766234
236 NWW 0.493671 0.739726
237 D4F 0.491525 0.819277
238 AMP NAD 0.491228 0.881579
239 7MC 0.490909 0.843373
240 LEU LMS 0.49 0.733333
241 SMM 0.489583 0.689655
242 DTP 0.489362 0.906667
243 SAM 0.489362 0.694118
244 7DD 0.488889 0.958333
245 GJV 0.488636 0.753086
246 OVE 0.488372 0.881579
247 5AD 0.486842 0.726027
248 GSU 0.485149 0.781609
249 KAA 0.485149 0.755556
250 P1H 0.483871 0.831325
251 NDE 0.483871 0.907895
252 N0B 0.483333 0.821429
253 A3G 0.482759 0.802632
254 O05 0.480392 0.86747
255 NAJ PZO 0.478632 0.82716
256 SFG 0.478261 0.753247
257 4TA 0.478261 0.809524
258 NDC 0.47619 0.85
259 YSA 0.47619 0.781609
260 FB0 0.47619 0.827586
261 7DT 0.473118 0.958333
262 A7D 0.472527 0.779221
263 J4G 0.470588 0.921053
264 NJP 0.469565 0.921053
265 FDA 0.46875 0.835294
266 SA8 0.468085 0.710843
267 A5D 0.468085 0.766234
268 MHZ 0.467391 0.701149
269 K3K 0.466667 0.782051
270 8PZ 0.466667 0.802326
271 71V 0.466667 0.884615
272 0WD 0.465517 0.897436
273 6FA 0.465116 0.843373
274 GGZ 0.464646 0.804878
275 SAI 0.463158 0.7375
276 SAH 0.463158 0.746835
277 6C6 0.463158 0.883117
278 NAJ PYZ 0.46281 0.788235
279 Y3J 0.4625 0.706667
280 B1U 0.462264 0.72043
281 LQJ 0.462264 0.893333
282 7D7 0.461538 0.723684
283 TXP 0.46087 0.897436
284 PO4 PO4 A A A A PO4 0.460784 0.878378
285 S7M 0.459184 0.694118
286 6IA 0.458333 0.839506
287 DDS 0.458333 0.855263
288 FAD 0.458015 0.853659
289 SFD 0.458015 0.736842
290 FAS 0.458015 0.853659
291 K3E 0.457944 0.772152
292 ODP 0.456897 0.886076
293 A3S 0.456522 0.813333
294 7C5 0.453704 0.797468
295 AAT 0.453608 0.710843
296 EEM 0.453608 0.694118
297 RGT 0.45283 0.933333
298 NPW 0.452174 0.8875
299 NDP 0.452174 0.897436
300 FAY 0.451852 0.864198
301 PGS 0.451613 0.860759
302 KOY 0.45045 0.782051
303 D5M 0.449438 0.88
304 DA 0.449438 0.88
305 NEC 0.449438 0.727273
306 2SA 0.44898 0.933333
307 NIA 0.448276 0.802469
308 NZQ 0.448276 0.910256
309 A3T 0.446809 0.8
310 128 0.446429 0.758621
311 6K6 0.445545 0.905405
312 QXP 0.445545 0.767442
313 GEK 0.445545 0.740741
314 4YB 0.445455 0.764045
315 62F 0.444444 0.864198
316 FNK 0.444444 0.806818
317 V47 0.444444 0.763158
318 AAM 0.444444 0.944444
319 Z5A 0.443548 0.761364
320 WSA 0.442478 0.790698
321 AMZ 0.44186 0.891892
322 C2R 0.44186 0.88
323 PLP AAD 0.441667 0.717391
324 12D 0.441441 0.767442
325 XNP 0.440678 0.851852
326 RFL 0.437956 0.823529
327 62X 0.436893 0.670455
328 N6P 0.436893 0.890411
329 NWQ 0.436782 0.72
330 AIR 0.433735 0.876712
331 N5O 0.433333 0.766234
332 GP3 0.43299 0.897436
333 A6D 0.432692 0.705882
334 QXG 0.432692 0.758621
335 V1N 0.431193 0.893333
336 649 0.429825 0.747253
337 R2V 0.428571 0.767442
338 NA0 0.428571 0.907895
339 GP2 0.428571 0.910256
340 GDP 0.428571 0.896104
341 0UM 0.427184 0.702381
342 KYB 0.427184 0.73494
343 DCA 0.42623 0.825581
344 ETB 0.42623 0.835294
345 8Q2 0.426087 0.775281
346 9JJ 0.425532 0.841463
347 GNH 0.424242 0.884615
348 NAP 0.424 0.92
349 N5A 0.423913 0.74026
350 K2H 0.423077 0.7375
351 PUA 0.422764 0.8625
352 APU 0.422414 0.871795
353 101 0.422222 0.855263
354 K2W 0.422018 0.743902
355 3AD 0.421687 0.808219
356 KY2 0.421569 0.73494
357 FA9 0.42069 0.865854
358 TAP 0.420635 0.884615
359 TM1 0.420561 0.755814
360 P5F 0.41958 0.825581
361 0T1 0.419355 0.825581
362 COA 0.419355 0.825581
363 K15 0.419048 0.686047
364 NYZ 0.418367 0.910256
365 7RP 0.417582 0.902778
366 S8M 0.417476 0.7625
367 NHD 0.416667 0.881579
368 K38 0.416667 0.759494
369 GTP 0.415842 0.896104
370 K2K 0.415094 0.740741
371 FAJ 0.414966 0.833333
372 FCX 0.414062 0.797753
373 KL2 0.413793 0.815789
374 F2N 0.413793 0.816092
375 Q34 0.413793 0.678161
376 7RA 0.413043 0.931507
377 AS 0.413043 0.835443
378 G1R 0.411765 0.884615
379 K2R 0.411215 0.881579
380 SXZ 0.411215 0.714286
381 QQY 0.411111 0.794872
382 ACK 0.411111 0.837838
383 DZ4 0.41 0.883117
384 30N 0.409449 0.755319
385 1DG 0.409449 0.897436
386 DG1 0.409449 0.897436
387 J7V 0.409449 0.813953
388 AMX 0.409449 0.835294
389 CAO 0.409449 0.797753
390 COS 0.409449 0.806818
391 K3H 0.409091 0.731707
392 KYE 0.409091 0.717647
393 NAD BBN 0.408759 0.821429
394 8BR 0.408602 0.883117
395 EO7 0.408602 0.770115
396 9BG 0.408333 0.873418
397 NVA 2AD 0.408163 0.7625
398 9GM 0.407767 0.873418
399 D3Y 0.407767 0.792208
400 GSP 0.407767 0.851852
401 G2P 0.407767 0.910256
402 GNP 0.407767 0.873418
403 KY5 0.407407 0.728395
404 CC5 0.407407 0.819444
405 KB1 0.407407 0.702381
406 N01 0.406504 0.881579
407 SCO 0.40625 0.825581
408 CMX 0.40625 0.825581
409 HDV 0.405941 0.87013
410 Q2P 0.404959 0.678161
411 2BA 0.404255 0.890411
412 CMP 0.404255 0.876712
413 ACO 0.403101 0.797753
414 FAM 0.403101 0.806818
415 NAD CJ3 0.402878 0.793103
416 2VA 0.402062 0.779221
417 KY8 0.401869 0.731707
418 3NZ 0.401869 0.78481
419 CZF 0.4 0.906667
420 HAX 0.4 0.806818
421 QQX 0.4 0.78481
422 OZP 0.4 0.731707
423 26A 0.4 0.74359
424 NX8 0.4 0.719512
Similar Ligands (3D)
Ligand no: 1; Ligand: 26A; Similar ligands found: 202
No: Ligand Similarity coefficient
1 FM1 0.9728
2 TBN 0.9551
3 NOS 0.9547
4 FMB 0.9482
5 FMC 0.9471
6 9DI 0.9453
7 DBM 0.9425
8 GMP 0.9423
9 ZJB 0.9419
10 FM2 0.9411
11 FTU 0.9404
12 5FD 0.9394
13 5ID 0.9392
14 CFE 0.9388
15 EKH 0.9386
16 NWW 0.9331
17 RPP 0.9318
18 3D1 0.9316
19 3BH 0.9316
20 SNI 0.9310
21 MDR 0.9305
22 CL9 0.9280
23 PRH 0.9271
24 TAL 0.9266
25 HPR 0.9265
26 ARJ 0.9253
27 5F1 0.9237
28 Y3J 0.9230
29 GNG 0.9226
30 8OX 0.9215
31 5NB 0.9210
32 5P7 0.9189
33 MTH 0.9175
34 3AD 0.9168
35 UA2 0.9168
36 NWQ 0.9151
37 NOC 0.9150
38 7D7 0.9150
39 4UO 0.9149
40 IMH 0.9136
41 MG7 0.9133
42 MTM 0.9126
43 B2L 0.9108
44 5I5 0.9107
45 EUN 0.9084
46 DCF 0.9080
47 13A 0.9072
48 HO4 0.9061
49 F01 0.9058
50 123 0.9045
51 EXX 0.9039
52 NEO 0.9014
53 UX0 0.9012
54 92O 0.9001
55 MCF 0.8996
56 CC5 0.8995
57 RFZ 0.8995
58 IMG 0.8983
59 THM 0.8981
60 EZB 0.8975
61 5UD 0.8973
62 B2X 0.8951
63 AFX 0.8935
64 TO1 0.8933
65 6QT 0.8929
66 PUR 0.8928
67 IXG 0.8927
68 7CI 0.8914
69 47X 0.8910
70 7DE 0.8908
71 CTN 0.8903
72 BNY 0.8887
73 3L1 0.8878
74 0DN 0.8878
75 8HG 0.8871
76 SGV 0.8868
77 MCY 0.8858
78 SCT 0.8854
79 802 0.8850
80 MGI 0.8842
81 3WO 0.8841
82 3WN 0.8841
83 M77 0.8841
84 H4B 0.8840
85 1KX 0.8837
86 CDY 0.8828
87 0OK 0.8826
88 ACK 0.8822
89 NEC 0.8812
90 QQY 0.8804
91 OA4 0.8803
92 QQX 0.8800
93 ZSP 0.8799
94 E6Q 0.8796
95 334 0.8778
96 HBI 0.8776
97 NQ7 0.8768
98 MPU 0.8767
99 120 0.8766
100 Z8B 0.8765
101 TVZ 0.8763
102 Q2S 0.8762
103 CR4 0.8761
104 BMZ 0.8761
105 5XK 0.8761
106 0HY 0.8761
107 H2B 0.8753
108 1KN 0.8750
109 PE2 0.8749
110 EAT 0.8747
111 MAN IFM 0.8743
112 GA2 0.8741
113 OUA 0.8741
114 GAL FUC 0.8741
115 Z15 0.8739
116 Z57 0.8739
117 GEN 0.8732
118 SX3 0.8727
119 XYP XYP 0.8724
120 ID2 0.8722
121 R18 0.8721
122 7AP 0.8720
123 4YE 0.8718
124 DGO Z61 0.8716
125 MAN MNM 0.8716
126 FNT 0.8716
127 WV7 0.8715
128 BIO 0.8708
129 AP6 0.8696
130 NYJ 0.8696
131 AVX 0.8695
132 QS4 0.8694
133 XYS XYS 0.8689
134 XYP XDN 0.8687
135 C4F 0.8687
136 XIF XYP 0.8686
137 NEU 0.8681
138 MHD GAL 0.8679
139 1EQ 0.8675
140 D64 0.8675
141 2L2 0.8673
142 3UG 0.8672
143 7D1 MAN 0.8670
144 WCU 0.8670
145 5MD 0.8667
146 BGC GLC 0.8666
147 JOB 0.8661
148 3QI 0.8660
149 XYP XYS 0.8660
150 AUE 0.8660
151 15Q 0.8656
152 TH1 0.8656
153 XYS XYP 0.8655
154 IMK 0.8654
155 4AB 0.8654
156 DGO MAN 0.8651
157 SGP 0.8650
158 NE1 0.8649
159 LVY 0.8648
160 CTE 0.8648
161 5YA 0.8645
162 C2M 0.8640
163 6BK 0.8638
164 GLC IFM 0.8633
165 GEO 0.8632
166 1Q4 0.8632
167 LZJ 0.8631
168 L3L 0.8630
169 124 0.8629
170 6DQ 0.8628
171 XYP XIF 0.8624
172 EF2 0.8623
173 GLA BEZ 0.8619
174 2QU 0.8617
175 4YF 0.8617
176 F40 0.8616
177 XIL 0.8616
178 DBS 0.8607
179 MXA 0.8605
180 FCW 0.8603
181 Y70 0.8602
182 NPX 0.8600
183 AUG 0.8599
184 5AE 0.8599
185 A45 0.8598
186 BK1 0.8589
187 XDN XYP 0.8585
188 NXB 0.8584
189 GLC 7LQ 0.8583
190 XTS 0.8582
191 HMX 0.8575
192 4L2 0.8572
193 6WL 0.8570
194 DTE 0.8568
195 NPS 0.8567
196 205 0.8562
197 RR7 GLC 0.8561
198 2L1 0.8554
199 JRE 0.8542
200 4GU 0.8541
201 3F4 0.8538
202 TIA 0.8531
Ligand no: 2; Ligand: ACP; Similar ligands found: 29
No: Ligand Similarity coefficient
1 ADP ALF 0.9672
2 ALF GDP 0.9574
3 GDP ALF 0.9543
4 GDP BEF 0.9527
5 ADP AF3 0.9456
6 GDP AF3 0.9455
7 BEF GDP 0.9450
8 DBG 0.9389
9 UTP 0.9261
10 GDP MG 0.9218
11 MGT 0.9160
12 DGT 0.9114
13 MGP 0.9094
14 MGO 0.9077
15 TTP 0.9066
16 CTP 0.9009
17 Y9Z 0.9008
18 ADP VO4 0.8876
19 DCP 0.8847
20 GAV 0.8811
21 UNP 0.8752
22 2KH 0.8740
23 GH3 0.8712
24 DGI 0.8664
25 MOD 0.8652
26 IDP 0.8650
27 DUT 0.8592
28 M7G 0.8562
29 DUP 0.8558
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ABS; Ligand: ACP; 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: 2abs.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
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