Receptor
PDB id Resolution Class Description Source Keywords
1U5R 2.1 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE TAO2 KINASE DOMAIN: ACTIVATION AND SPECIFITY OF A STE20P MAP3K RATTUS NORVEGICUS SERINE/THREONINE PROTEIN KINASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE TAO2 KINASE DOMAIN; ACTIVATION AND SPECIFICITY OF A STE20P MAP3K. STRUCTURE V. 12 1891 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:411;
B:412;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
CA A:601;
B:602;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MG A:501;
A:502;
B:503;
B:504;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U5R 2.1 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE TAO2 KINASE DOMAIN: ACTIVATION AND SPECIFITY OF A STE20P MAP3K RATTUS NORVEGICUS SERINE/THREONINE PROTEIN KINASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE TAO2 KINASE DOMAIN; ACTIVATION AND SPECIFICITY OF A STE20P MAP3K. STRUCTURE V. 12 1891 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 1U5R - ATP C10 H16 N5 O13 P3 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 277 families.
1 1U5R - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 70 families.
1 6NFY Kd = 16 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
2 6CQD - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 6CQF ic50 = 0.0045 uM F97 C21 H26 F2 N8 CC(C)n1c2c....
4 4APP Ki = 0.064 uM N53 C33 H36 N6 O3 CC1(c2c(c(....
5 5VEE ic50 = 779 nM 981 C25 H23 Cl2 F N6 O CCN1c2c(cn....
6 4O0X Ki = 0.068 uM 2OQ C19 H20 N6 O Cc1nc2ccc(....
7 6WLY - ARG LYS LYS ARG TYR THR VAL VAL GLY ASN n/a n/a
8 4O0Y Ki = 0.06 uM 2OO C17 H19 N7 O CCNc1nc2cc....
9 4QMP ic50 = 0.014 uM DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
10 4U8Z - 3FE C17 H15 N5 O c1cc(cc(c1....
11 4QMX ic50 = 11 uM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
12 4QMT ic50 = 0.01 uM H1N C29 H32 N4 O3 S CCS(=O)(=O....
13 4QMM ic50 = 0.46 uM 35R C19 H23 N7 O2 c1cc2c(cc1....
14 4QMU ic50 = 1.3 uM SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
15 4W8E - 3JB C20 H17 N7 O2 Cc1nc(no1)....
16 4QMZ ic50 = 0.21 uM B49 C22 H27 F N4 O2 CCN(CC)CCN....
17 1U5R - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 6YG5 - IHH C22 H19 N7 c1ccc2c(c1....
19 6YZ4 - 1E8 C25 H24 N6 O2 C=CC(=O)N1....
20 6YG4 - SU9 C13 H11 N3 O2 COc1ccc2c(....
21 5DH3 ic50 = 38.1 nM 5BS C17 H16 N6 O3 S2 CN1c2ccsc2....
22 4O0R Ki = 0.036 uM 7KC C25 H30 N8 O S Cc1nc2ccsc....
23 3FY0 ic50 = 1090 nM DW1 C23 H13 N3 O4 Ru C1=CC(C=C1....
24 3ALN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
25 4EQU - G6I C30 H24 F3 N7 O2 Cc1ccc(cc1....
26 4OBQ ic50 = 0.065 uM 2QT C20 H20 F N5 O c1cc2c(cc1....
27 4U43 Kd = 48 uM 3D8 C11 H9 N5 c1cc(cnc1)....
28 4OBP ic50 = 0.017 uM 2QU C12 H8 F N5 c1cc(nc2c1....
29 3ZLY ic50 = 300 uM YSO C8 H6 N4 c1cc(c2c(c....
30 3ZLS ic50 = 39.4 uM 92P C9 H8 N2 O2 COC(=O)c1c....
31 3ZLW ic50 = 198 uM MT8 C13 H15 N O2 C[C@]1(CCN....
32 3ZLX ic50 = 157 uM 5EZ C14 H15 Cl N2 O2 c1c2c(cc(c....
33 1S9J - BBM C16 H13 Br F3 I N2 O4 c1cc(c(cc1....
34 3EQH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 3E8N ic50 = 19 nM VRA C19 H20 F3 I N2 O5 S COc1cc(c(c....
36 3EQG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 3ZM4 ic50 = 1.1 uM 22T C13 H13 Cl N2 O2 c1c2c(cc(c....
38 3DV3 - MEK C18 H18 F3 I N2 O5 c1cc(c(cc1....
39 5DBX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
40 4USF - 6UI C19 H15 N3 O COc1ccc2cc....
41 2J51 - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ATP; Similar ligands found: 489
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 HEJ 1 1
3 AQP 0.985507 1
4 5FA 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 6YZ 0.833333 0.972222
12 AT4 0.810811 0.958904
13 AN2 0.810811 0.985915
14 25L 0.809524 0.985915
15 APR 0.802632 0.971831
16 AR6 0.802632 0.971831
17 M33 0.8 0.958333
18 ACQ 0.794872 0.972222
19 TAT 0.794872 0.958904
20 T99 0.794872 0.958904
21 AD9 0.792208 0.972222
22 ACP 0.789474 0.972222
23 A 0.788732 0.971429
24 AMP 0.788732 0.971429
25 ANP 0.772152 0.972222
26 HQG 0.756098 0.985915
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 KG4 0.74359 0.945205
32 PRX 0.734177 0.893333
33 APC 0.734177 0.958904
34 ABM 0.733333 0.917808
35 45A 0.733333 0.917808
36 ATF 0.731707 0.958904
37 7D4 0.730769 0.905405
38 ITT 0.730769 0.943662
39 AMP MG 0.72973 0.929577
40 ADQ 0.729412 0.945205
41 A3R 0.729412 0.907895
42 AP2 0.714286 0.958904
43 A12 0.714286 0.958904
44 A1R 0.709302 0.907895
45 SRA 0.706667 0.918919
46 JNT 0.701149 0.945205
47 5AL 0.698795 0.931507
48 8LE 0.698795 0.894737
49 ADP MG 0.696203 0.943662
50 ADP BEF 0.696203 0.943662
51 JSQ 0.695122 0.945946
52 HFD 0.695122 0.945946
53 9X8 0.693182 0.92
54 OAD 0.693182 0.945205
55 AU1 0.6875 0.972222
56 APC MG 0.682927 0.917808
57 8LH 0.682353 0.906667
58 SRP 0.682353 0.906667
59 G5P 0.680851 0.921053
60 25A 0.678161 0.971831
61 OZV 0.678161 0.971831
62 3OD 0.677778 0.945205
63 4AD 0.670455 0.92
64 G3A 0.670213 0.921053
65 8LQ 0.666667 0.906667
66 QA7 0.666667 0.894737
67 00A 0.662921 0.883117
68 ADP PO3 0.662651 0.943662
69 RBY 0.662651 0.932432
70 ADV 0.662651 0.932432
71 ATP MG 0.662651 0.943662
72 BIS 0.659341 0.933333
73 5SV 0.659091 0.848101
74 OOB 0.659091 0.931507
75 8QN 0.659091 0.931507
76 GTA 0.65625 0.886076
77 KMQ 0.655914 0.932432
78 BEF ADP 0.654762 0.917808
79 UP5 0.653061 0.92
80 AMO 0.651685 0.932432
81 PAJ 0.651685 0.884615
82 VO4 ADP 0.651163 0.945205
83 2A5 0.650602 0.918919
84 MAP 0.647727 0.945946
85 3AT 0.647059 0.971831
86 AHX 0.644444 0.896104
87 DLL 0.644444 0.931507
88 ATR 0.642857 0.971429
89 PAP 0.642857 0.985714
90 PTJ 0.641304 0.896104
91 V2G 0.639535 0.896104
92 7D3 0.6375 0.905405
93 3UK 0.637363 0.918919
94 SON 0.634146 0.932432
95 A4P 0.633663 0.843373
96 ANP MG 0.632184 0.931507
97 ALF ADP 0.632184 0.87013
98 LAD 0.630435 0.860759
99 PR8 0.630435 0.85
100 B5V 0.630435 0.906667
101 WAQ 0.630435 0.883117
102 AFH 0.628866 0.884615
103 LMS 0.628205 0.82716
104 DTP 0.627907 0.905405
105 GAP 0.627907 0.893333
106 TXA 0.623656 0.932432
107 ME8 0.623656 0.839506
108 NB8 0.623656 0.896104
109 1ZZ 0.623656 0.839506
110 FYA 0.623656 0.905405
111 DQV 0.622449 0.958333
112 T5A 0.621359 0.841463
113 XYA 0.619718 0.84507
114 RAB 0.619718 0.84507
115 ADN 0.619718 0.84507
116 DAL AMP 0.611111 0.905405
117 9SN 0.610526 0.871795
118 48N 0.61 0.896104
119 AP0 0.607843 0.896104
120 9ZD 0.604396 0.907895
121 9ZA 0.604396 0.907895
122 B5M 0.604167 0.894737
123 B5Y 0.604167 0.894737
124 FA5 0.604167 0.906667
125 NAX 0.60396 0.873418
126 DND 0.60396 0.932432
127 NAI 0.60396 0.907895
128 6V0 0.60396 0.896104
129 TXD 0.60396 0.907895
130 ADP BMA 0.602151 0.918919
131 A2R 0.6 0.985915
132 OMR 0.598039 0.851852
133 TXE 0.598039 0.907895
134 XAH 0.597938 0.839506
135 7DT 0.593023 0.985714
136 AOC 0.592593 0.821918
137 L3W 0.592233 0.932432
138 4UV 0.591837 0.894737
139 DDS 0.590909 0.878378
140 139 0.590476 0.873418
141 CNA 0.584906 0.932432
142 6AD 0.58427 0.909091
143 5AS 0.583333 0.77907
144 5N5 0.581081 0.819444
145 GA7 0.58 0.906667
146 4UU 0.58 0.894737
147 4TC 0.576923 0.896104
148 ADJ 0.575472 0.851852
149 5CD 0.573333 0.805556
150 A4D 0.573333 0.819444
151 RGT 0.571429 0.958904
152 A3P 0.571429 0.971429
153 7D5 0.56962 0.878378
154 LAQ 0.568627 0.839506
155 NO7 0.565217 0.932432
156 F2R 0.564815 0.864198
157 80F 0.563636 0.841463
158 CUU 0.563218 0.971831
159 YLP 0.563107 0.819277
160 UPA 0.561905 0.907895
161 AV2 0.56044 0.917808
162 COD 0.559633 0.811765
163 4UW 0.557692 0.860759
164 JB6 0.556701 0.883117
165 3AM 0.555556 0.929577
166 ATP A 0.555556 0.930556
167 ATP A A A 0.555556 0.930556
168 A2P 0.552941 0.957143
169 TYM 0.552381 0.906667
170 NA7 0.552083 0.958904
171 EP4 0.551282 0.753247
172 MYR AMP 0.55102 0.817073
173 PPS 0.549451 0.873418
174 YLB 0.54717 0.819277
175 YLC 0.54717 0.839506
176 DAT 0.545455 0.905405
177 NAD 0.545455 0.931507
178 H1Q 0.545455 0.90411
179 G5A 0.544444 0.77907
180 DTA 0.544304 0.786667
181 M2T 0.544304 0.734177
182 3DH 0.54321 0.773333
183 128 0.542857 0.776471
184 AHZ 0.538462 0.817073
185 SSA 0.537634 0.8
186 GTP 0.537634 0.92
187 MTA 0.5375 0.773333
188 IOT 0.537037 0.831325
189 A3D 0.535714 0.918919
190 AR6 AR6 0.533981 0.917808
191 ARG AMP 0.533981 0.829268
192 7MD 0.533981 0.8625
193 YLA 0.53211 0.819277
194 IMO 0.529412 0.929577
195 AMP DBH 0.529412 0.893333
196 TAD 0.528846 0.884615
197 AYB 0.527273 0.809524
198 HDV 0.526882 0.893333
199 A5A 0.526882 0.807229
200 TSB 0.526316 0.819277
201 EAD 0.525424 0.873418
202 2AM 0.52439 0.943662
203 6RE 0.52381 0.759494
204 6MZ 0.523256 0.930556
205 7DD 0.522727 0.985714
206 CZF 0.521739 0.931507
207 V3L 0.521739 0.971831
208 AVV 0.520833 0.896104
209 BTX 0.517857 0.841463
210 NAE 0.517241 0.894737
211 QBQ 0.516129 0.906667
212 52H 0.515789 0.77907
213 VMS 0.515789 0.788235
214 54H 0.515789 0.788235
215 NSS 0.515464 0.8
216 BT5 0.513274 0.831325
217 NAQ 0.512821 0.871795
218 ZAS 0.511905 0.766234
219 A3N 0.511628 0.786667
220 J7C 0.511628 0.769231
221 5X8 0.511111 0.763158
222 5CA 0.510417 0.8
223 53H 0.510417 0.77907
224 8X1 0.510417 0.752809
225 NVA LMS 0.510204 0.752809
226 ARU 0.510204 0.860759
227 ALF ADP 3PG 0.509259 0.8375
228 AF3 ADP 3PG 0.509259 0.8375
229 38V 0.508475 0.886076
230 ZID 0.508475 0.918919
231 P1H 0.508197 0.851852
232 OVE 0.505882 0.905405
233 S4M 0.505747 0.666667
234 LEU LMS 0.50505 0.730337
235 LPA AMP 0.504673 0.817073
236 NAD TDB 0.504587 0.917808
237 7MC 0.504587 0.841463
238 NAD IBO 0.504587 0.917808
239 D4F 0.504274 0.839506
240 P5A 0.5 0.744444
241 DZD 0.5 0.884615
242 DSZ 0.5 0.8
243 MAO 0.5 0.759036
244 DSH 0.5 0.725
245 LSS 0.5 0.761364
246 FB0 0.5 0.804598
247 NDE 0.495935 0.932432
248 N0B 0.495798 0.819277
249 M24 0.495726 0.85
250 YLY 0.495726 0.809524
251 NJP 0.495575 0.945946
252 9K8 0.49505 0.714286
253 MGP 0.494737 0.884615
254 6C6 0.494624 0.881579
255 O02 0.494624 0.921053
256 NWW 0.493671 0.760563
257 NAJ PZO 0.491379 0.848101
258 0WD 0.491228 0.921053
259 6G0 0.489583 0.884615
260 GJV 0.488636 0.75
261 6FA 0.488189 0.841463
262 5AD 0.486842 0.746479
263 KAA 0.485149 0.752809
264 GSU 0.485149 0.77907
265 71V 0.483146 0.907895
266 NEC 0.482759 0.746667
267 A3G 0.482759 0.8
268 ODP 0.482456 0.909091
269 K3K 0.480769 0.802632
270 FAS 0.48062 0.851852
271 FAD 0.48062 0.851852
272 7D7 0.480519 0.743243
273 FDA 0.480315 0.833333
274 N6P 0.48 0.915493
275 2SA 0.479167 0.932432
276 GP3 0.478723 0.921053
277 AMP NAD 0.478261 0.905405
278 SFG 0.478261 0.75
279 4TA 0.478261 0.807229
280 NDP 0.477876 0.921053
281 NPW 0.477876 0.886076
282 LQJ 0.47619 0.917808
283 NDC 0.47619 0.871795
284 YSA 0.47619 0.77907
285 NAJ PYZ 0.475 0.807229
286 MGO 0.474227 0.860759
287 NZQ 0.473684 0.909091
288 TXP 0.473684 0.921053
289 6IA 0.473684 0.8375
290 GDP 0.473684 0.92
291 A7D 0.472527 0.776316
292 J4G 0.470588 0.92
293 SFD 0.469231 0.734043
294 SA8 0.468085 0.707317
295 A5D 0.468085 0.786667
296 ZDA 0.468085 0.864865
297 12D 0.46789 0.785714
298 PGS 0.467391 0.883117
299 MHZ 0.467391 0.697674
300 8PZ 0.466667 0.8
301 62F 0.466165 0.8625
302 D5M 0.465909 0.878378
303 DA 0.465909 0.878378
304 GGZ 0.464646 0.825
305 SAH 0.463158 0.74359
306 SAI 0.463158 0.734177
307 FAY 0.462687 0.8625
308 Y3J 0.4625 0.726027
309 B1U 0.462264 0.736264
310 PO4 PO4 A A A A PO4 0.460784 0.902778
311 AAM 0.460674 0.971429
312 RFL 0.459259 0.821429
313 SMM 0.459184 0.686047
314 HF7 0.459184 0.893333
315 C2R 0.458824 0.90411
316 AMZ 0.458824 0.916667
317 SAM 0.458333 0.690476
318 K3E 0.457944 0.792208
319 A3S 0.456522 0.810811
320 FNK 0.455224 0.804598
321 7C5 0.453704 0.818182
322 AAT 0.453608 0.707317
323 EEM 0.453608 0.690476
324 NWQ 0.453488 0.739726
325 XNP 0.452991 0.873418
326 PRT 0.45283 0.931507
327 K2R 0.451923 0.88
328 AIR 0.451219 0.901408
329 62X 0.45098 0.666667
330 KOY 0.45045 0.802632
331 GSP 0.45 0.873418
332 ETB 0.45 0.833333
333 DCA 0.45 0.823529
334 N5O 0.449438 0.763158
335 NIA 0.448276 0.822785
336 A3T 0.446809 0.821918
337 K15 0.446602 0.682353
338 PUA 0.446281 0.884615
339 QXP 0.445545 0.785714
340 6K6 0.445545 0.930556
341 GEK 0.445545 0.7375
342 4YB 0.445455 0.761364
343 V47 0.444444 0.783784
344 S7M 0.444444 0.690476
345 DG1 0.443548 0.921053
346 1DG 0.443548 0.921053
347 Z5A 0.443548 0.77907
348 COA 0.442623 0.823529
349 0T1 0.442623 0.823529
350 WSA 0.442478 0.788235
351 8BR 0.43956 0.906667
352 N5A 0.43956 0.736842
353 DZ4 0.438776 0.881579
354 8Q2 0.438596 0.772727
355 101 0.438202 0.878378
356 IDP 0.4375 0.918919
357 NVA 2AD 0.4375 0.759494
358 9JJ 0.435714 0.8625
359 KY2 0.435644 0.731707
360 NAP 0.435484 0.945205
361 K2W 0.435185 0.740741
362 APU 0.434783 0.894737
363 7RP 0.433333 0.928571
364 QXG 0.432692 0.776471
365 A6D 0.432692 0.722892
366 TAP 0.432 0.907895
367 AMX 0.432 0.833333
368 COS 0.432 0.804598
369 CAO 0.432 0.795455
370 J7V 0.432 0.833333
371 30N 0.432 0.752688
372 V1N 0.431193 0.917808
373 KL2 0.430233 0.837838
374 K38 0.429907 0.779221
375 649 0.429825 0.744444
376 P5F 0.429577 0.823529
377 NA0 0.428571 0.932432
378 7RA 0.428571 0.957747
379 SCO 0.428571 0.823529
380 R2V 0.428571 0.785714
381 CMX 0.428571 0.823529
382 0UM 0.427184 0.698795
383 KYB 0.427184 0.731707
384 GAV 0.427184 0.884615
385 1RB 0.426966 0.885714
386 QQY 0.426966 0.815789
387 ACK 0.426966 0.861111
388 GCP 0.425743 0.896104
389 G1R 0.425743 0.907895
390 ACO 0.425197 0.795455
391 FCX 0.425197 0.795455
392 FAM 0.425197 0.804598
393 OZP 0.424779 0.728395
394 O05 0.424528 0.843373
395 GNH 0.424242 0.907895
396 F2N 0.423611 0.813953
397 K2H 0.423077 0.75641
398 GKE 0.422018 0.884615
399 GDC 0.422018 0.884615
400 K3H 0.422018 0.75
401 GDD 0.422018 0.884615
402 KYE 0.422018 0.714286
403 HAX 0.421875 0.804598
404 3AD 0.421687 0.805556
405 9GM 0.421569 0.896104
406 GNP 0.421569 0.896104
407 FA9 0.42069 0.864198
408 TM1 0.420561 0.77381
409 KY5 0.420561 0.725
410 KB1 0.420561 0.698795
411 9BG 0.420168 0.896104
412 H6Y 0.42 0.945205
413 2MC 0.419847 0.769231
414 KXW 0.419643 0.707317
415 FYN 0.418605 0.823529
416 3KK 0.418605 0.804598
417 S8M 0.417476 0.759494
418 7L1 0.417323 0.795455
419 26A 0.416667 0.763158
420 2VA 0.416667 0.8
421 NHD 0.416667 0.905405
422 HZ2 0.415929 0.731707
423 QQX 0.41573 0.805195
424 CA6 0.415385 0.729167
425 OXK 0.415385 0.804598
426 MCD 0.415385 0.804598
427 SOP 0.415385 0.804598
428 COK 0.415385 0.804598
429 YZS 0.415385 0.729167
430 KGP 0.415385 0.729167
431 KY8 0.415094 0.728395
432 K2K 0.415094 0.7375
433 FAJ 0.414966 0.831325
434 NX8 0.414141 0.716049
435 Q34 0.413793 0.674419
436 YE1 0.413534 0.813953
437 RMB 0.413043 0.873239
438 FAI 0.413043 0.916667
439 AS 0.413043 0.833333
440 CO6 0.412214 0.804598
441 1VU 0.412214 0.795455
442 NMX 0.412214 0.76087
443 CMC 0.412214 0.804598
444 SXZ 0.411215 0.710843
445 ANZ 0.410714 0.8
446 SCA 0.410448 0.804598
447 SCD 0.409091 0.823529
448 CAJ 0.409091 0.804598
449 NAD BBN 0.408759 0.841463
450 HY8 0.408696 0.731707
451 EO7 0.408602 0.788235
452 D3Y 0.407767 0.789474
453 CC5 0.407407 0.816901
454 KGA 0.407407 0.744681
455 KH3 0.40708 0.674419
456 PLP AAD 0.406504 0.733333
457 SLU 0.406504 0.770115
458 G 0.40625 0.906667
459 5GP 0.40625 0.906667
460 MLC 0.406015 0.804598
461 KGJ 0.406015 0.752688
462 1HE 0.406015 0.786517
463 3HC 0.406015 0.813953
464 A1S 0.406015 0.804598
465 IVC 0.406015 0.813953
466 BCO 0.406015 0.804598
467 GTG 0.405405 0.886076
468 NMN AMP PO4 0.404959 0.87013
469 Q2P 0.404959 0.674419
470 3D1 0.404762 0.773333
471 3L1 0.404762 0.773333
472 2BA 0.404255 0.915493
473 CMP 0.404255 0.901408
474 VRT 0.40404 0.769231
475 SO8 0.40404 0.789474
476 MCA 0.402985 0.795455
477 COO 0.402985 0.804598
478 CAA 0.402985 0.813953
479 SO5 0.402985 0.721649
480 LCV 0.402985 0.721649
481 NAD CJ3 0.402878 0.811765
482 3NZ 0.401869 0.782051
483 G2R 0.401869 0.884615
484 YXS 0.4 0.729167
485 2CP 0.4 0.795455
486 2FA 0.4 0.813333
487 YXR 0.4 0.729167
488 ZZB 0.4 0.77381
489 MC4 0.4 0.76087
Similar Ligands (3D)
Ligand no: 1; Ligand: ATP; Similar ligands found: 41
No: Ligand Similarity coefficient
1 ADP AF3 0.9964
2 ADP ALF 0.9801
3 ADP VO4 0.9704
4 BEF GDP 0.9696
5 GDP ALF 0.9646
6 GDP AF3 0.9633
7 GDP BEF 0.9621
8 ALF GDP 0.9621
9 DBG 0.9581
10 CTP 0.9340
11 UTP 0.9337
12 GDP MG 0.9246
13 DGT 0.9177
14 DCP 0.9141
15 DCP MG 0.9114
16 8DG 0.9051
17 MGT 0.9049
18 6U4 0.8990
19 2KH 0.8972
20 MSP 0.8951
21 TTP 0.8917
22 MOD 0.8909
23 8GT 0.8879
24 G2P 0.8852
25 DGI 0.8847
26 2TM 0.8819
27 L3U 0.8814
28 M7G 0.8804
29 GP2 0.8802
30 DUT 0.8788
31 UNP 0.8786
32 Y9Z 0.8773
33 F6G 0.8769
34 DUP 0.8755
35 GH3 0.8730
36 D3T 0.8684
37 0RC 0.8650
38 BUP 0.8621
39 DUT MG 0.8599
40 UDP 0.8570
41 TYR AMP 0.8561
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U5R; Ligand: ATP; Similar sites found with APoc: 61
This union binding pocket(no: 1) in the query (biounit: 1u5r.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 6G34 5ID 9.52381
2 5X8I SQZ 15.0289
3 5X8I SQZ 15.0289
4 2CSN CKI 22.8956
5 5LI1 ANP 25.2874
6 3M2W L8I 26.4214
7 2B9F ADP 27.5862
8 2GU8 796 28.4866
9 4NST ADP 29.5977
10 4NST ADP 29.5977
11 2Z7R STU 29.9065
12 4OH4 ANP 30.6306
13 4OH4 ANP 30.6306
14 7JNT VFA 30.7443
15 4CRL C1I 30.7471
16 2WU6 DKI 30.7471
17 5LPZ ADP 31.0241
18 5EFQ ADP 31.4121
19 5EFQ ADP 31.4121
20 4UX9 ANP 32.3625
21 3MVH WFE 32.7586
22 6F3G CJN 32.8814
23 4E93 GUI 33.046
24 1BYG STU 33.0935
25 4YZC STU 33.6207
26 5WNL STU 33.6257
27 5WNL STU 33.6257
28 2BPM 529 33.657
29 2BPM 529 33.657
30 2JDR L20 33.9181
31 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 33.9181
32 4BFM ANP 34.1317
33 3IOK 1P6 34.3042
34 4CFU 2WC 34.6535
35 3RWP ABQ 34.7267
36 3RWP ABQ 34.7267
37 6I82 H6W 36.5696
38 6I82 H6W 36.5696
39 6LVK EVC 36.8932
40 6LVK EVC 36.8932
41 1PHK ATP 36.9128
42 2YAB AMP 37.069
43 3EKK GS2 37.1335
44 3BU5 ATP 37.2549
45 5JZJ AN2 37.3737
46 5JZJ AN2 37.3737
47 1IR3 ANP 37.5817
48 6OVA N9G 38.835
49 2PVF ACP 39.2216
50 4YZN 4K5 41.4634
51 3SRV S19 41.5162
52 4H3P ANP 42.2652
53 4H3P ANP 42.2652
54 5VCV 1N1 42.7653
55 4QTB 38Z 43.1034
56 4QTB 38Z 43.1034
57 2VN9 GVD 43.5216
58 5N87 N66 43.77
59 5G1X ADP 44.5614
60 4WNP 3RJ 44.9477
61 4WNP 3RJ 44.9477
Pocket No.: 2; Query (leader) PDB : 1U5R; Ligand: ATP; 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: 1u5r.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1U5R; Ligand: ATP; Similar sites found with APoc: 70
This union binding pocket(no: 3) in the query (biounit: 1u5r.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5GZ9 ANP 4.2623
2 6G34 5ID 9.52381
3 2CSN CKI 22.8956
4 3M2W L8I 26.4214
5 2B9F ADP 27.5862
6 4NST ADP 29.5977
7 4NST ADP 29.5977
8 2Z7R STU 29.9065
9 5WO4 B7V 30.4636
10 5WO4 B7V 30.4636
11 4OH4 ANP 30.6306
12 4OH4 ANP 30.6306
13 7JNT VFA 30.7443
14 7JNT VFA 30.7443
15 5IZF 6J9 AZ1 DAR ACA DAR NH2 30.7443
16 2WU6 DKI 30.7471
17 4CRL C1I 30.7471
18 5LPZ ADP 31.0241
19 5EFQ ADP 31.4121
20 5EFQ ADP 31.4121
21 5HVJ ANP 31.746
22 4NM5 ADP 31.8966
23 4UX9 ANP 32.3625
24 3MVH WFE 32.7586
25 6F3G CJN 32.8814
26 1BYG STU 33.0935
27 1UNH IXM 33.2192
28 5WNL STU 33.6257
29 5WNL STU 33.6257
30 3LXN MI1 33.9623
31 4BFM ANP 34.1317
32 3IOK 1P6 34.3042
33 5UIU 8CG 34.3653
34 5LPB ADP 34.4595
35 2RIO ADP 34.4828
36 2RIO ADP 34.4828
37 4CFU 2WC 34.6535
38 4BCN T9N 34.6667
39 3RWP ABQ 34.7267
40 3RWP ABQ 34.7267
41 6GUE FB8 34.7682
42 6VRF ADP 34.7826
43 5LVP ATP 35.3698
44 5LVP ATP 35.3698
45 3GQI ACP 35.8896
46 6QF4 ADP 36.6972
47 6LVK EVC 36.8932
48 1PHK ATP 36.9128
49 2YAB AMP 37.069
50 3BU5 ATP 37.2549
51 5JZJ AN2 37.3737
52 5JZJ AN2 37.3737
53 5HQ0 LZ9 37.4172
54 6GU6 1QK 37.4172
55 1IR3 ANP 37.5817
56 6OVA N9G 38.835
57 2PVF ACP 39.2216
58 4YZN 4K5 41.4634
59 3SRV S19 41.5162
60 4H3P ANP 42.2652
61 4H3P ANP 42.2652
62 5VCV 1N1 42.7653
63 4QTB 38Z 43.1034
64 2VN9 GVD 43.5216
65 5N87 N66 43.77
66 5G1X ADP 44.5614
67 5LXM ADP 44.8763
68 4WNP 3RJ 44.9477
69 4WNP 3RJ 44.9477
70 3SLS ANP 47.3684
Pocket No.: 4; Query (leader) PDB : 1U5R; Ligand: ATP; Similar sites found with APoc: 40
This union binding pocket(no: 4) in the query (biounit: 1u5r.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3M2W L8I 26.4214
2 3V8S 0HD 28.1609
3 3V8S 0HD 28.1609
4 4NST ADP 29.5977
5 4NST ADP 29.5977
6 2Z7R STU 29.9065
7 4OH4 ANP 30.6306
8 7JNT VFA 30.7443
9 4CRL C1I 30.7471
10 1O9U ADZ 31.3218
11 5EFQ ADP 31.4121
12 5EFQ ADP 31.4121
13 5HVJ ANP 31.746
14 6F3G CJN 32.8814
15 1BYG STU 33.0935
16 5WNL STU 33.6257
17 5WNL STU 33.6257
18 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 33.9181
19 2JDR L20 33.9181
20 3IOK 1P6 34.3042
21 5LPB ADP 34.4595
22 4CFU 2WC 34.6535
23 4CFU 2WC 34.6535
24 3RWP ABQ 34.7267
25 3RWP ABQ 34.7267
26 4C2W ANP 34.767
27 5LVP ATP 35.3698
28 2YAB AMP 37.069
29 3BU5 ATP 37.2549
30 5JZJ AN2 37.3737
31 1IR3 ANP 37.5817
32 2PVF ACP 39.2216
33 3SRV S19 41.5162
34 4H3P ANP 42.2652
35 4H3P ANP 42.2652
36 2VN9 GVD 43.5216
37 2VN9 GVD 43.5216
38 2V7O DRN 44.0476
39 5L8L ADP 44.5614
40 5G1X ADP 44.5614
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