Receptor
PDB id Resolution Class Description Source Keywords
3NCQ 1.24 Å NON-ENZYME: OTHER GLNK2 FROM ARCHAEOGLOBUS FULGIDUS, ATP COMPLEX ARCHAEOGLOBUS FULGIDUS PII SIGNALING NUCLEOTIDE BINDING GLNK GLNB SIGNALING PRO
Ref.: COOPERATIVE BINDING OF MGATP AND MGADP IN THE TRIME PROTEIN GLNK2 FROM ARCHAEOGLOBUS FULGIDUS. J.MOL.BIOL. V. 402 165 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:121;
B:120;
C:120;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
ATP A:201;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
ATP MG B:202;
C:200;
Valid;
Valid;
none;
none;
submit data
527.455 n/a P(=O)...
CL A:120;
Invalid;
none;
submit data
35.453 Cl [Cl-]
MG A:122;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
PO4 C:121;
C:122;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NCQ 1.24 Å NON-ENZYME: OTHER GLNK2 FROM ARCHAEOGLOBUS FULGIDUS, ATP COMPLEX ARCHAEOGLOBUS FULGIDUS PII SIGNALING NUCLEOTIDE BINDING GLNK GLNB SIGNALING PRO
Ref.: COOPERATIVE BINDING OF MGATP AND MGADP IN THE TRIME PROTEIN GLNK2 FROM ARCHAEOGLOBUS FULGIDUS. J.MOL.BIOL. V. 402 165 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3NCR - ADP MG n/a n/a
2 3NCQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4CO0 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4CO4 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 4CO3 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3MHY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 4CO2 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 4CO1 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 4CNZ Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 3TA0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
9 3TA2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 2GNK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 3LF0 Kd = 1.93 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 3NCQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 2J9C - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 2J9E - AKG C5 H6 O5 C(CC(=O)O)....
15 5L9N - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 2XBP Kd = 9.6 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 2XZW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 4AFF - FLC C6 H5 O7 C(C(=O)[O-....
19 2XUL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4CO0 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4CO4 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 4CO3 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3MHY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 4CO2 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 4CO1 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 4CNZ Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 2O66 - FLC C6 H5 O7 C(C(=O)[O-....
9 2O67 - MLI C3 H2 O4 C(C(=O)[O-....
10 3TA1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 3TA0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 3TA2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 2GNK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 3LF0 Kd = 1.93 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 3NCR - ADP MG n/a n/a
16 3NCQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 4OZL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
18 4OZJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 2J9C - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
20 2J9E - AKG C5 H6 O5 C(CC(=O)O)....
21 4USI Kd = 38.9 uM AKG C5 H6 O5 C(CC(=O)O)....
22 5L9N - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
23 1V3S - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
24 1V9O - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 2XBP Kd = 9.6 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 2XZW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 4AFF - FLC C6 H5 O7 C(C(=O)[O-....
28 2XUL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
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
Ligand no: 2; Ligand: ATP MG; Similar ligands found: 376
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP PO3 1 1
2 ATP MG 1 1
3 ADP BEF 0.888889 1
4 ADP MG 0.888889 1
5 BEF ADP 0.831169 0.971429
6 ATP A 0.813953 0.985507
7 ATP A A A 0.813953 0.985507
8 ALF ADP 0.8 0.918919
9 VO4 ADP 0.8 0.944444
10 AMP MG 0.756757 0.985294
11 ANP MG 0.756098 0.957747
12 ADP BMA 0.735632 0.944444
13 A 0.72 0.942857
14 AMP 0.72 0.942857
15 A2D 0.714286 0.943662
16 45A 0.714286 0.916667
17 ABM 0.714286 0.916667
18 GAP 0.710843 0.944444
19 ADP 0.708861 0.943662
20 APC MG 0.707317 0.971429
21 AR6 AR6 0.702128 0.971429
22 PO4 PO4 A A A A PO4 0.696629 0.956522
23 AP2 0.696203 0.905405
24 BA3 0.696203 0.943662
25 A12 0.696203 0.905405
26 B4P 0.6875 0.943662
27 AP5 0.6875 0.943662
28 AT4 0.679012 0.905405
29 AN2 0.679012 0.930556
30 APC 0.674699 0.905405
31 M33 0.670732 0.930556
32 DAL AMP 0.670455 0.957747
33 SRA 0.666667 0.891892
34 HEJ 0.662651 0.943662
35 ACP 0.662651 0.917808
36 ATP 0.662651 0.943662
37 50T 0.662651 0.90411
38 AR6 0.654762 0.943662
39 APR 0.654762 0.943662
40 AQP 0.654762 0.943662
41 5FA 0.654762 0.943662
42 AHZ 0.653061 0.860759
43 ACQ 0.651163 0.917808
44 AU1 0.650602 0.917808
45 CA0 0.650602 0.917808
46 ADX 0.650602 0.848101
47 AD9 0.647059 0.917808
48 RBY 0.647059 0.905405
49 AGS 0.647059 0.893333
50 ADV 0.647059 0.905405
51 KG4 0.642857 0.917808
52 PRX 0.635294 0.891892
53 ALF ADP 3PG 0.633663 0.883117
54 AF3 ADP 3PG 0.633663 0.883117
55 ANP 0.632184 0.917808
56 TAT 0.632184 0.905405
57 T99 0.632184 0.905405
58 6YZ 0.629214 0.917808
59 NAD IBO 0.627451 0.971429
60 NAD TDB 0.627451 0.971429
61 4TA 0.622642 0.85
62 MYR AMP 0.621053 0.860759
63 ATF 0.617977 0.905405
64 LMS 0.6125 0.825
65 5AL 0.606742 0.930556
66 8LE 0.606742 0.893333
67 V2G 0.606742 0.87013
68 HQG 0.604396 0.930556
69 SON 0.6 0.905405
70 MAP 0.597826 0.893333
71 A22 0.597826 0.930556
72 AMP DBH 0.59596 0.917808
73 8LH 0.593407 0.905405
74 SRP 0.593407 0.905405
75 AMP NAD 0.592593 0.957747
76 9X8 0.589474 0.893333
77 5N5 0.586667 0.816901
78 ADQ 0.585106 0.917808
79 A1R 0.585106 0.881579
80 A3R 0.585106 0.881579
81 ARG AMP 0.584158 0.85
82 ADN 0.581081 0.842857
83 XYA 0.581081 0.842857
84 RAB 0.581081 0.842857
85 QA7 0.580645 0.893333
86 8LQ 0.580645 0.905405
87 JNT 0.578947 0.917808
88 AOC 0.578313 0.84507
89 NAJ PZO 0.576577 0.894737
90 OZV 0.574468 0.943662
91 5SV 0.574468 0.846154
92 OOB 0.574468 0.930556
93 8QN 0.574468 0.930556
94 25A 0.574468 0.943662
95 9ZD 0.574468 0.881579
96 9ZA 0.574468 0.881579
97 Z5A 0.573913 0.819277
98 OAD 0.572917 0.917808
99 NAJ PYZ 0.570175 0.85
100 5AS 0.569767 0.776471
101 AMO 0.568421 0.905405
102 4AD 0.568421 0.918919
103 PAJ 0.568421 0.858974
104 LPA AMP 0.567308 0.860759
105 NAD 0.563636 0.957747
106 DLL 0.5625 0.930556
107 AHX 0.5625 0.87013
108 00A 0.5625 0.881579
109 BIS 0.561224 0.881579
110 3OD 0.561224 0.917808
111 A4D 0.558442 0.816901
112 5CD 0.558442 0.828571
113 3UK 0.556701 0.917808
114 25L 0.555556 0.930556
115 A3D 0.553571 0.944444
116 7MD 0.553398 0.8375
117 AFH 0.553398 0.858974
118 WAQ 0.55102 0.881579
119 B5V 0.55102 0.905405
120 LAD 0.55102 0.858974
121 PR8 0.55102 0.848101
122 H1Q 0.550562 0.929577
123 9SN 0.55 0.87013
124 GTP MG 0.547368 0.905405
125 1ZZ 0.545455 0.8375
126 JB6 0.545455 0.881579
127 ME8 0.545455 0.8375
128 TXA 0.545455 0.905405
129 PTJ 0.545455 0.87013
130 FYA 0.545455 0.90411
131 NB8 0.545455 0.87013
132 KMQ 0.544554 0.905405
133 EP4 0.5375 0.773333
134 7D5 0.536585 0.851351
135 NAE 0.534483 0.918919
136 G5A 0.532609 0.776471
137 A5A 0.531915 0.804878
138 M2T 0.530864 0.776316
139 DTA 0.530864 0.808219
140 3DH 0.53012 0.794521
141 NAQ 0.529915 0.894737
142 B5Y 0.529412 0.893333
143 B5M 0.529412 0.893333
144 FA5 0.529412 0.905405
145 G3A 0.528846 0.87013
146 7D3 0.528736 0.853333
147 ZID 0.525424 0.944444
148 LEU LMS 0.525253 0.767442
149 MTA 0.52439 0.794521
150 XAH 0.524272 0.8375
151 G5P 0.52381 0.87013
152 A3P 0.522727 0.942857
153 PAP 0.521739 0.929577
154 4UV 0.519231 0.893333
155 GTA 0.518868 0.860759
156 DQV 0.518868 0.930556
157 TAD 0.518868 0.858974
158 NAX 0.518519 0.848101
159 NAI 0.518519 0.881579
160 TSB 0.515464 0.795181
161 TXE 0.513761 0.881579
162 6RE 0.511628 0.779221
163 2A5 0.51087 0.866667
164 SSA 0.510417 0.776471
165 GA7 0.509434 0.88
166 4UU 0.509434 0.893333
167 48N 0.509259 0.87013
168 YLP 0.509259 0.817073
169 4TC 0.509091 0.87013
170 AP0 0.509091 0.87013
171 3AM 0.505882 0.901408
172 A2P 0.505618 0.928571
173 7D4 0.505495 0.853333
174 ATR 0.505376 0.915493
175 VMS 0.505155 0.785714
176 52H 0.505155 0.776471
177 54H 0.505155 0.785714
178 DSZ 0.50505 0.776471
179 UP5 0.504587 0.893333
180 DND 0.504587 0.931507
181 TXD 0.504587 0.881579
182 6V0 0.504587 0.87013
183 ZAS 0.5 0.810811
184 J7C 0.5 0.766234
185 A3N 0.5 0.783784
186 LAQ 0.5 0.8375
187 OMR 0.5 0.82716
188 5CA 0.5 0.776471
189 NDE 0.5 0.931507
190 8X1 0.5 0.75
191 53H 0.5 0.776471
192 N01 0.495726 0.957747
193 NMN AMP PO4 0.495652 0.918919
194 ADJ 0.495575 0.82716
195 139 0.495575 0.848101
196 7MC 0.495495 0.817073
197 L3W 0.495495 0.905405
198 YLB 0.495495 0.817073
199 S4M 0.494382 0.702381
200 NDC 0.492063 0.894737
201 A4P 0.491071 0.797619
202 4UW 0.490909 0.858974
203 P5A 0.490196 0.741573
204 ENQ 0.490196 0.942857
205 LSS 0.49 0.758621
206 NSS 0.49 0.797619
207 MAO 0.488889 0.756098
208 DSH 0.488636 0.74359
209 NAD BBN 0.48855 0.839506
210 F2R 0.486957 0.817073
211 TYM 0.486486 0.905405
212 9K8 0.485437 0.730337
213 NVA LMS 0.485149 0.770115
214 O02 0.484211 0.87013
215 5X8 0.483871 0.783784
216 IMO 0.483146 0.901408
217 T5A 0.482456 0.817073
218 YLC 0.482143 0.8375
219 UPA 0.482143 0.881579
220 NWW 0.481481 0.757143
221 NAD CJ3 0.481203 0.809524
222 V3L 0.479167 0.943662
223 CNA 0.478261 0.931507
224 6MZ 0.477778 0.902778
225 GJV 0.477778 0.769231
226 2AM 0.476744 0.888889
227 GSU 0.475728 0.776471
228 KAA 0.475728 0.75
229 A2R 0.474747 0.930556
230 FAD NBT 0.474453 0.747253
231 5AD 0.474359 0.768116
232 PPS 0.474227 0.825
233 SA8 0.473684 0.725
234 IOT 0.473684 0.807229
235 ITT 0.473118 0.888889
236 8PZ 0.471698 0.776471
237 COD 0.470085 0.788235
238 YLA 0.469565 0.817073
239 AV2 0.469388 0.864865
240 SFG 0.468085 0.77027
241 B1U 0.46729 0.752809
242 YSA 0.46729 0.776471
243 CNV FAD 0.467153 0.790698
244 DZD 0.466102 0.858974
245 AYB 0.465517 0.807229
246 SAM 0.463918 0.728395
247 A7D 0.462366 0.797297
248 80F 0.462185 0.817073
249 FAD CNX 0.460993 0.723404
250 OVE 0.460674 0.853333
251 GDP BEF 0.46 0.881579
252 6AD 0.459184 0.858974
253 BTX 0.457627 0.817073
254 MHZ 0.457447 0.694118
255 71V 0.456522 0.857143
256 A3G 0.455556 0.797297
257 COA FLC 0.455285 0.809524
258 DAL FAD PER 0.454545 0.764045
259 BT5 0.453782 0.807229
260 6C6 0.453608 0.855263
261 SAI 0.453608 0.753247
262 JSQ 0.453608 0.893333
263 SAH 0.453608 0.763158
264 HFD 0.453608 0.893333
265 CUU 0.452632 0.916667
266 GDP AF3 0.451923 0.8375
267 Y3J 0.451219 0.746479
268 M24 0.45082 0.848101
269 NAD NDT 0.450704 0.723404
270 4YB 0.45045 0.758621
271 7D7 0.45 0.763889
272 SMM 0.45 0.722892
273 K3E 0.449541 0.789474
274 M7G A2M G 0.448276 0.781609
275 PAX 0.448 0.82716
276 P33 FDA 0.447552 0.764045
277 P6G FDA 0.447552 0.790698
278 NDP DTT 0.446154 0.839506
279 NO7 0.445545 0.88
280 7C5 0.445455 0.815789
281 K3K 0.444444 0.8
282 EEM 0.444444 0.728395
283 A5D 0.443299 0.808219
284 KOY 0.442478 0.824324
285 ARU 0.442308 0.8125
286 NAJ 0.440678 0.957747
287 38V 0.44 0.8375
288 NAP 0.44 0.944444
289 NEC 0.43956 0.743243
290 YLY 0.439024 0.807229
291 FAD T2C 0.438356 0.747253
292 NA7 0.438095 0.905405
293 GDP ALF 0.438095 0.8375
294 DAT 0.4375 0.853333
295 QXP 0.436893 0.741176
296 GEK 0.436893 0.779221
297 TAP 0.436508 0.906667
298 FAD NBA 0.436242 0.723404
299 V47 0.435644 0.805556
300 S7M 0.435644 0.728395
301 D4F 0.435484 0.8375
302 WSA 0.434783 0.785714
303 6IA 0.434343 0.8125
304 3AT 0.434343 0.916667
305 J4G 0.433962 0.893333
306 GTP 5GP 0.433628 0.918919
307 NHD 0.433333 0.930556
308 EAD 0.433071 0.848101
309 NA0 0.433071 0.931507
310 0UM 0.432692 0.716049
311 AMZ 0.431818 0.863014
312 A3S 0.431579 0.808219
313 P1H 0.430769 0.82716
314 AAT 0.43 0.725
315 N0B 0.428571 0.817073
316 GDP 7MG 0.428571 0.883117
317 K2H 0.428571 0.753247
318 PGS 0.427083 0.857143
319 NWQ 0.426966 0.736111
320 2SA 0.425743 0.88
321 A6D 0.424528 0.7625
322 QXG 0.424528 0.732558
323 APC G U 0.424 0.857143
324 D5M 0.423913 0.851351
325 N5O 0.423913 0.76
326 DA 0.423913 0.851351
327 AVV 0.423077 0.87013
328 A3T 0.42268 0.819444
329 649 0.422414 0.741573
330 NIA 0.422222 0.820513
331 K2K 0.420561 0.734177
332 R2V 0.420561 0.741176
333 DTP 0.42 0.853333
334 AAM 0.419355 0.942857
335 8Q2 0.418803 0.75
336 BUA COA 0.41791 0.790698
337 O05 0.416667 0.819277
338 C2R 0.41573 0.851351
339 62X 0.415094 0.682353
340 N5A 0.414894 0.733333
341 EO7 0.414894 0.785714
342 NFD 0.414634 0.906667
343 LQJ 0.414414 0.916667
344 128 0.413793 0.752941
345 FB0 0.413534 0.761364
346 GGZ 0.413462 0.8
347 KY2 0.413462 0.728395
348 101 0.413043 0.851351
349 TM1 0.412844 0.771084
350 3AD 0.411765 0.828571
351 PLP AAD 0.41129 0.770115
352 K15 0.411215 0.698795
353 0WD 0.409836 0.87013
354 S8M 0.409524 0.75641
355 6K6 0.409524 0.902778
356 ALF 5GP 0.407767 0.8375
357 KY8 0.407407 0.746835
358 FDA 0.407407 0.788235
359 AIR 0.406977 0.873239
360 KYB 0.40566 0.728395
361 NZQ 0.404959 0.858974
362 KL2 0.404494 0.810811
363 6FA 0.404412 0.817073
364 SXZ 0.40367 0.728395
365 6NA COA 0.402878 0.772727
366 ACK 0.402174 0.859155
367 QQY 0.402174 0.813333
368 7DD 0.402062 0.929577
369 N6P 0.401869 0.887324
370 K3H 0.401786 0.746835
371 NJP 0.401639 0.918919
372 9JJ 0.4 0.860759
373 SLU 0.4 0.767442
374 KB1 0.4 0.716049
375 HMG 0.4 0.790698
376 KY5 0.4 0.74359
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
Ligand no: 2; Ligand: ATP MG; Similar ligands found: 4
No: Ligand Similarity coefficient
1 ADP AF3 0.9252
2 GNP 0.8808
3 GTP 0.8751
4 7DT 0.8683
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NCQ; 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: 1) in the query (biounit: 3ncq.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3NCQ; 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: 3ncq.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3NCQ; 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: 3) in the query (biounit: 3ncq.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback