Receptor
PDB id Resolution Class Description Source Keywords
3NGU 2.29 Å EC: 2.7.4.6 STRUCTURE OF LEISHMANIA NDKB COMPLEXED WITH ADP. LEISHMANIA MAJOR NDKB ADP TRANSFERASE
Ref.: MOLECULAR ADAPTABILITY OF NUCLEOSIDE DIPHOSPHATE KI FROM TRYPANOSOMATID PARASITES: STABILITY, OLIGOMERI AND STRUCTURAL DETERMINANTS OF NUCLEOTIDE BINDING. MOL BIOSYST V. 7 2189 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:152;
B:152;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NGU 2.29 Å EC: 2.7.4.6 STRUCTURE OF LEISHMANIA NDKB COMPLEXED WITH ADP. LEISHMANIA MAJOR NDKB ADP TRANSFERASE
Ref.: MOLECULAR ADAPTABILITY OF NUCLEOSIDE DIPHOSPHATE KI FROM TRYPANOSOMATID PARASITES: STABILITY, OLIGOMERI AND STRUCTURAL DETERMINANTS OF NUCLEOTIDE BINDING. MOL BIOSYST V. 7 2189 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3NGU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1F6T - TBD C10 H19 B N2 O10 P2 [BH3-][P@@....
2 1NDP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3FKB - TNM C9 H15 N5 O7 P2 C[C@H](Cn1....
4 1KDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1LWX - AZD C10 H15 N5 O10 P2 CC1=CN(C(=....
6 1NDC - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
7 2BEF - BEF ADP n/a n/a
8 1F3F Kd = 21.3 uM D4T C10 H15 N2 O13 P3 CC1=CN(C(=....
9 4CP5 Kd = 452 uM EOI C9 H16 N5 O9 P3 S C[C@H](Cn1....
10 1B4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1S5Z - SON C12 H16 N5 O8 P c1nc(c2c(n....
12 1MN7 - ABT C10 H17 B N5 O12 P3 B=P(O)(OC[....
13 3NGU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 1WKL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 1ZS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 4UOG - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
17 4UOH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 1BE4 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
19 3BBB - DG C10 H14 N5 O7 P c1nc2c(n1[....
20 1NUE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
21 1BHN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
22 2HVD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 1UCN Kd = 6 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 3BBF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
25 2HVE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1F6T - TBD C10 H19 B N2 O10 P2 [BH3-][P@@....
2 1NDP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3FKB - TNM C9 H15 N5 O7 P2 C[C@H](Cn1....
4 1KDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1LWX - AZD C10 H15 N5 O10 P2 CC1=CN(C(=....
6 1NDC - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
7 2BEF - BEF ADP n/a n/a
8 1F3F Kd = 21.3 uM D4T C10 H15 N2 O13 P3 CC1=CN(C(=....
9 4CP5 Kd = 452 uM EOI C9 H16 N5 O9 P3 S C[C@H](Cn1....
10 1B4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1S5Z - SON C12 H16 N5 O8 P c1nc(c2c(n....
12 1MN7 - ABT C10 H17 B N5 O12 P3 B=P(O)(OC[....
13 3EVO - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
14 3ELH - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
15 3GP9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 3EJM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
17 3FBB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
18 3EMT - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
19 3FCV - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
20 3EIC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
21 3EVM - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
22 3B6B - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
23 3FCW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
24 2B8Q - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
25 3DKD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
26 3DDI - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
27 3FBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
28 3ETM - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
29 3GPA - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
30 3ENA - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
31 3EM1 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
32 3EE3 - CDP MG n/a n/a
33 3NGU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
34 3Q86 - GTP MG n/a n/a
35 3Q8U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 3Q8V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
37 1WKL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
38 1ZS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
39 4UOG - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
40 4UOH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
41 2AZ3 - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
42 1NHK - CMP C10 H12 N5 O6 P c1nc(c2c(n....
43 1NLK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 1BE4 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
45 3BBB - DG C10 H14 N5 O7 P c1nc2c(n1[....
46 1NUE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
47 1BHN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
48 2HVD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 1UCN Kd = 6 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50 3BBF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
51 2HVE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NGU; Ligand: ADP; Similar sites found: 364
This union binding pocket(no: 1) in the query (biounit: 3ngu.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2F3R G5P 0.0004826 0.47097 None
2 4GLJ RHB 0.0003286 0.45996 None
3 3TA2 AKG 0.000666 0.44358 None
4 3H86 AP5 0.002468 0.44037 None
5 3ZZS TRP 0.001509 0.4379 None
6 1UQX MMA 0.0008959 0.43215 None
7 1V35 NAI 0.003934 0.42781 None
8 3RF4 FUN 0.001618 0.42722 None
9 3ZZL TRP 0.004434 0.42369 None
10 1TUV VK3 0.01241 0.42041 None
11 3SXF BK5 0.02129 0.41932 None
12 1F7L COA 0.004118 0.41886 None
13 3UC5 ATP 0.01367 0.41757 None
14 2HV8 GTP 0.002542 0.41505 None
15 4WK1 2BA 0.003669 0.415 None
16 2QLX RM4 0.008772 0.41404 None
17 1LNX URI 0.003572 0.41329 None
18 3TA2 ATP 0.007352 0.40893 None
19 1NNU TCT 0.0474 0.40459 None
20 2IYG FMN 0.003059 0.40094 None
21 2XD9 XD9 0.01581 0.44256 1.3245
22 3FS8 ACO 0.00109 0.47452 1.98676
23 2RDT FMN 0.001069 0.46199 1.98676
24 1DRV A3D 0.001003 0.45787 1.98676
25 2NSJ C2R 0.006733 0.43771 1.98676
26 2RDT 2RD 0.007804 0.43251 1.98676
27 1XHL NDP 0.002193 0.42773 1.98676
28 3FS8 TDR 0.01334 0.42536 1.98676
29 1JQI FAD 0.005505 0.41673 1.98676
30 3NBK PNS 0.005371 0.4125 1.98676
31 4NVP 7CH 0.007188 0.41102 1.98676
32 1QJC PNS 0.01888 0.40851 1.98676
33 2ZI8 SDT 0.00571 0.40759 1.98676
34 2Q1A 2KT 0.003732 0.40542 1.98676
35 3SHR CMP 0.003325 0.40428 1.98676
36 1F74 NAY 0.002723 0.40061 1.98676
37 2PN6 GLN 0.03138 0.40857 2
38 1F7K UMP 0.002129 0.41712 2.20588
39 3FPZ AHZ 0.0002056 0.50742 2.64901
40 1Q3Q ANP 0.0004081 0.48125 2.64901
41 1P4C FMN 0.005592 0.43874 2.64901
42 4N02 FNR 0.004348 0.43487 2.64901
43 2BLE 5GP 0.008524 0.42696 2.64901
44 1G41 ADP 0.009377 0.42239 2.64901
45 2C4I BTN 0.000725 0.42126 2.64901
46 1RM4 NDP 0.01393 0.41788 2.64901
47 3K9W 4PS 0.03783 0.41382 2.64901
48 3K9W ADE 0.03783 0.41382 2.64901
49 2WL9 MBD 0.00308 0.41191 2.64901
50 4USQ FAD 0.006594 0.41137 2.64901
51 4KQI NIO 0.00571 0.41021 2.64901
52 4KQI RBZ 0.00571 0.41021 2.64901
53 3HF3 FMN 0.004031 0.40417 2.64901
54 2PJL 047 0.01177 0.40085 2.64901
55 2XBP ATP 0.01713 0.40569 2.65487
56 3PFG SAM 0.01755 0.4005 2.6616
57 3PFG TLO 0.01755 0.4005 2.6616
58 2HMT NAI 0.008137 0.4203 2.77778
59 1FS5 TLA 0.00003863 0.48851 3.31126
60 1K27 MTM 0.0003098 0.46096 3.31126
61 1ZK4 AC0 0.002463 0.46024 3.31126
62 1ZK4 NAP 0.002463 0.46024 3.31126
63 1LCP PLU 0.0003805 0.44796 3.31126
64 4U36 TNR 0.0003696 0.44665 3.31126
65 1SAY PYR 0.01175 0.44407 3.31126
66 1G8S MET 0.001764 0.43838 3.31126
67 2X61 NGA GAL SIA 0.005109 0.43497 3.31126
68 4FR3 LYS ARG ARG LYS SEP VAL 0.009055 0.43154 3.31126
69 1WVC CTP 0.01306 0.43049 3.31126
70 3MB5 SAM 0.005126 0.43028 3.31126
71 1KWK GAL 0.0007786 0.42471 3.31126
72 1X1T NAD 0.01379 0.42418 3.31126
73 1SG4 CO8 0.001844 0.42353 3.31126
74 4HE2 AMP 0.002724 0.42274 3.31126
75 4FR3 0V4 0.01607 0.42072 3.31126
76 2RHW C0E 0.01709 0.41538 3.31126
77 1E5F PLP 0.001368 0.41135 3.31126
78 4W6Z 8ID 0.007528 0.41022 3.31126
79 4PB2 5UD 0.001943 0.41021 3.31126
80 1HDR NAD 0.01575 0.40919 3.31126
81 4C0C WVH 0.01419 0.40782 3.31126
82 2X61 CH 0.0124 0.40567 3.31126
83 1J5P NAD 0.00685 0.40317 3.31126
84 3C1O NAP 0.005459 0.40251 3.31126
85 4I9A NCN 0.008346 0.40121 3.31126
86 1Q0H NDP 0.02485 0.40016 3.31126
87 4F8L GAL 0.04289 0.40758 3.44828
88 1GR0 NAD 0.00007569 0.52355 3.97351
89 4IZC 1GZ 0.0005856 0.46893 3.97351
90 4TSK NDP 0.003612 0.44133 3.97351
91 4Q0P 0MK 0.009287 0.44089 3.97351
92 4G1V FAD 0.01101 0.43804 3.97351
93 1D3V ABH 0.0007537 0.4367 3.97351
94 3D2M COA 0.01784 0.42989 3.97351
95 4KS1 2H8 0.005428 0.42404 3.97351
96 3F3E LEU 0.005156 0.41896 3.97351
97 2PNZ UDP 0.002246 0.41871 3.97351
98 3FSY SCA 0.005248 0.41811 3.97351
99 4CKU P2F 0.01112 0.41468 3.97351
100 4COQ SAN 0.007511 0.411 3.97351
101 3DER ALA LYS 0.002316 0.40942 3.97351
102 1SB8 UD2 0.01824 0.40878 3.97351
103 1VDC FAD 0.01619 0.40791 3.97351
104 3HR1 PF9 0.02261 0.40674 3.97351
105 1M7Y PPG 0.007223 0.40495 3.97351
106 3I28 34N 0.02241 0.40125 3.97351
107 4OZJ ADP 0.005715 0.40757 4.1958
108 1LTH NAD 0.0003276 0.48695 4.63576
109 4QCK ASD 0.00004742 0.48226 4.63576
110 4A8T PAO 0.0005148 0.48022 4.63576
111 4A8H PUW 0.000235 0.46339 4.63576
112 2FWP ICR 0.0004596 0.45835 4.63576
113 3CXO 3LR 0.0003145 0.45614 4.63576
114 2H6B 3C4 0.001494 0.45589 4.63576
115 4QDC ASD 0.0003672 0.45112 4.63576
116 3HPF GAE 0.001083 0.4436 4.63576
117 3L8W XAN 0.005346 0.43414 4.63576
118 2FWP CIT 0.001545 0.43232 4.63576
119 1A5Z NAD 0.004515 0.43089 4.63576
120 3E8N VRA 0.003725 0.42975 4.63576
121 3E8N ATP 0.003725 0.42975 4.63576
122 2WR8 SAH 0.002861 0.42689 4.63576
123 4IEN COA 0.002624 0.42468 4.63576
124 4GZP G39 0.004267 0.42436 4.63576
125 4IEN GDP 0.001909 0.42373 4.63576
126 4QDF 30Q 0.002144 0.4218 4.63576
127 3OIG NAD 0.01241 0.42002 4.63576
128 2Q6K ADN 0.02075 0.41698 4.63576
129 1TDF NAP 0.02154 0.41573 4.63576
130 3CXO 1N5 0.004617 0.41381 4.63576
131 3IAE D7K 0.004768 0.41326 4.63576
132 3BEJ MUF 0.02154 0.40953 4.63576
133 4N4J HG1 0.01089 0.40844 4.63576
134 1IYE PGU 0.006438 0.40817 4.63576
135 4JK3 NAD 0.006379 0.40573 4.63576
136 2NX1 PEP 0.006296 0.40458 4.63576
137 2YPO PHE 0.007732 0.4038 4.63576
138 1V6A TRE 0.008512 0.4031 4.63576
139 3PC3 P1T 0.004289 0.40141 4.63576
140 2GJ3 FAD 0.00003723 0.49445 5
141 1O51 ADP 0.00296 0.41415 5.26316
142 4IAE 1DX 0.00001072 0.54088 5.29801
143 2ZX7 ZX7 0.0001443 0.47161 5.29801
144 3L02 SN0 0.0002871 0.46225 5.29801
145 3L02 CP 0.0002871 0.46225 5.29801
146 1SS4 GSH 0.00749 0.45025 5.29801
147 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.001737 0.44936 5.29801
148 3AIQ HBO 0.001598 0.44669 5.29801
149 4KCF AKM 0.002379 0.44413 5.29801
150 4AAW R84 0.00287 0.43902 5.29801
151 3QVL 5HY 0.004351 0.43405 5.29801
152 1QCA FUA 0.001598 0.43107 5.29801
153 4LCQ URQ 0.001688 0.42801 5.29801
154 4KCF FMN 0.003202 0.42723 5.29801
155 4O1M NAD 0.003087 0.41928 5.29801
156 3HZS M0E 0.007058 0.41751 5.29801
157 1I0Z NAI 0.003548 0.41694 5.29801
158 1LDM NAD 0.01955 0.41411 5.29801
159 1NXJ GLV 0.0002753 0.41185 5.29801
160 1J2Z SOG 0.001506 0.41099 5.29801
161 2RGH FAD 0.01055 0.40948 5.29801
162 2J5S KTA 0.002135 0.40872 5.29801
163 1UDB UFG 0.01817 0.40811 5.29801
164 1UDB NAD 0.01817 0.40811 5.29801
165 4BG1 OGA 0.003778 0.40345 5.29801
166 4BG1 IVL 0.003778 0.40345 5.29801
167 1I2B NAD 0.02692 0.40303 5.29801
168 1I2B UPG 0.02692 0.40303 5.29801
169 1I2B USQ 0.02692 0.40303 5.29801
170 1L1Q 9DA 0.003629 0.40224 5.29801
171 4C81 CDP 0.004088 0.40127 5.29801
172 1LO8 4CA 0.02714 0.40674 5.67376
173 1EDO NAP 0.003191 0.45051 5.96026
174 1OMZ UD2 0.001526 0.44652 5.96026
175 1T26 NAI 0.007445 0.44519 5.96026
176 1T26 GBD 0.007445 0.44519 5.96026
177 1MVN PCO 0.002885 0.44507 5.96026
178 1I9G SAM 0.002031 0.44338 5.96026
179 1V1A KDG 0.0005047 0.4348 5.96026
180 3M0J OAF 0.001491 0.43293 5.96026
181 2FH5 GTP 0.004518 0.42729 5.96026
182 2AC7 ADN 0.004238 0.4265 5.96026
183 1XMV ADP 0.007601 0.42395 5.96026
184 2PT9 2MH 0.004651 0.41737 5.96026
185 2PT9 S4M 0.002787 0.41514 5.96026
186 1V1A ADP 0.004182 0.41281 5.96026
187 2IUW AKG 0.0004151 0.4096 5.96026
188 3VKX T3 0.002688 0.408 5.96026
189 4QTB 38Z 0.02965 0.4077 5.96026
190 3K37 BCZ 0.04433 0.40398 5.96026
191 2TPL HPP 0.005819 0.403 5.96026
192 3GE7 AFQ 0.0107 0.40192 5.96026
193 2C1Q BTN 0.000008025 0.53394 6.34921
194 4UBP HAE 0.002451 0.40947 6.34921
195 4MOB COA 0.0008831 0.45074 6.62252
196 4QN6 LNV 0.00116 0.44484 6.62252
197 4RJK TDL 0.0008615 0.44076 6.62252
198 3HU3 AGS 0.0045 0.44014 6.62252
199 2Q1S NAI 0.002606 0.43704 6.62252
200 4AF0 IMP 0.004225 0.43208 6.62252
201 2BNF UTP 0.003435 0.4271 6.62252
202 3TO7 COA 0.004311 0.42314 6.62252
203 4AF0 MOA 0.001818 0.42055 6.62252
204 3Q3C NAD 0.01023 0.41932 6.62252
205 2FMD MAN MAN 0.001267 0.41906 6.62252
206 4GCS 1RG 0.002332 0.41563 6.62252
207 2NZ2 CIR 0.003876 0.41122 6.62252
208 1EB9 HBA 0.0009887 0.40869 6.62252
209 3DDC GNP 0.005107 0.40515 6.62252
210 1U7Z PMT 0.01018 0.40278 6.62252
211 1QW9 KHP 0.006556 0.40102 6.62252
212 2GNK ATP 0.0006339 0.44666 7.14286
213 2P8B NSK 0.001334 0.48342 7.28477
214 2BNE U5P 0.0001044 0.48168 7.28477
215 2ET1 GLV 0.0001792 0.47848 7.28477
216 2P2V CSF 0.00064 0.46779 7.28477
217 3UXL CFI 0.002439 0.46482 7.28477
218 1KW6 BPY 0.004291 0.44102 7.28477
219 1PJ6 FOL 0.002488 0.43786 7.28477
220 1Z4V DAN 0.001711 0.43324 7.28477
221 3DJL FAD 0.02033 0.41999 7.28477
222 4B7J G39 0.004152 0.41811 7.28477
223 1JSH SIA GAL 0.001742 0.41776 7.28477
224 1UNH IXM 0.008755 0.41771 7.28477
225 4HZD COA 0.005288 0.41631 7.28477
226 4TMK T5A 0.04243 0.41615 7.28477
227 3MMR ABH 0.01762 0.41083 7.28477
228 2QXX TTP 0.008983 0.40717 7.28477
229 1F8F NAD 0.0286 0.40191 7.28477
230 1JCM 137 0.0001224 0.47193 7.94702
231 1JA9 NDP 0.001215 0.4686 7.94702
232 4IVG ANP 0.001646 0.45077 7.94702
233 1FA2 DOM 0.0008447 0.43961 7.94702
234 4A3R CIT 0.002245 0.43107 7.94702
235 2GGH NLQ 0.002751 0.42757 7.94702
236 2I7C AAT 0.005153 0.41442 7.94702
237 1V8K ANP 0.00469 0.41354 7.94702
238 1RYI GOA 0.01204 0.40988 7.94702
239 1H82 FAD 0.02028 0.4096 7.94702
240 1RP0 AHZ 0.03139 0.40748 7.94702
241 1H82 GZZ 0.02582 0.40706 7.94702
242 2Z9V PXM 0.005403 0.406 7.94702
243 1JA9 PYQ 0.007609 0.40276 7.94702
244 1K97 CIR 0.002265 0.46298 8.60927
245 1K97 ASP 0.002265 0.46298 8.60927
246 2A0W DIH 0.001434 0.4369 8.60927
247 1G6O ADP 0.004792 0.43465 8.60927
248 3WE0 FAD 0.01192 0.41007 8.60927
249 2V5E SCR 0.03105 0.40753 8.60927
250 2TOH HBI 0.004793 0.40465 8.60927
251 3TN7 NJP 0.008634 0.4032 8.60927
252 1S8F GDP 0.007398 0.40048 8.60927
253 2BS5 BGC GAL FUC 0.006818 0.40038 8.88889
254 2NLI LAC 0.000727 0.4655 9.27152
255 2NLI FMN 0.000727 0.4655 9.27152
256 3MAG 3MA 0.006457 0.44278 9.27152
257 1QF5 GDP 0.002603 0.44077 9.27152
258 1QF5 RPL 0.002603 0.44077 9.27152
259 1ZFJ IMP 0.01198 0.43683 9.27152
260 3VGL ANP 0.002116 0.43441 9.27152
261 4IU0 ABH 0.0006233 0.43439 9.27152
262 3VHZ SOG 0.008406 0.42856 9.27152
263 2NXW TPP 0.002239 0.42738 9.27152
264 1WL4 COA 0.006023 0.42219 9.27152
265 1O9U ADZ 0.01281 0.41973 9.27152
266 3ZPG 5GP 0.01286 0.41965 9.27152
267 4MP8 MLI 0.005644 0.41739 9.27152
268 4MP8 NAD 0.005644 0.41739 9.27152
269 2P1O IHP 0.004645 0.4124 9.27152
270 2P1O NLA 0.004645 0.4124 9.27152
271 3VGL BGC 0.004586 0.41126 9.27152
272 2P1M IHP 0.00412 0.4087 9.27152
273 4EKV BTN 0.007271 0.40853 9.27152
274 4UAL 3FV 0.002405 0.40474 9.27152
275 4HGP KDO 0.0122 0.40188 9.27152
276 4CO3 ATP 0.0004797 0.46647 9.82143
277 1ME8 RVP 0.0008268 0.48099 9.93377
278 2AEB ABH 0.0002249 0.46856 9.93377
279 1MG1 MAL 0.0008271 0.42982 9.93377
280 2R7K AMZ 0.03388 0.416 9.93377
281 2R7K ACP 0.03388 0.416 9.93377
282 2XZ3 MAL 0.004565 0.41134 9.93377
283 3FC4 EDO 0.01698 0.4108 9.93377
284 3RO7 TDR 0.04642 0.40977 9.93377
285 2XK9 XK9 0.007666 0.40878 9.93377
286 2W8Q SIN 0.003794 0.40153 9.93377
287 2NS1 ADP 0.004141 0.41876 10.3448
288 1NVV GNP 0.002416 0.44714 10.596
289 1SBZ FMN 0.002912 0.42291 10.596
290 1NVU GTP 0.01398 0.41508 10.596
291 3O9P MHI 0.03 0.40665 10.596
292 1JIL 485 0.002834 0.40619 10.596
293 1TIW TFB 0.01183 0.40551 10.596
294 1TIW FAD 0.01183 0.40551 10.596
295 3ZV6 4HB 0.01587 0.40409 10.596
296 2J07 FAD 0.02132 0.4037 10.596
297 2J07 HDF 0.02132 0.4037 10.596
298 1BDB NAD 0.0001848 0.5053 11.2583
299 1YBH P22 0.0007124 0.44541 11.2583
300 4CMF PXG 0.002292 0.4448 11.2583
301 1OFH ADP 0.0007864 0.436 11.2583
302 1Z34 2FD 0.004601 0.43304 11.2583
303 4P87 4NP 0.001314 0.42915 11.2583
304 1YBH FAD 0.03206 0.41405 11.2583
305 2NVK FAD 0.008601 0.41402 11.2583
306 2ZO9 MLI 0.002575 0.40606 11.2583
307 1Q11 TYE 0.015 0.40059 11.2583
308 2BGM NAJ 0.0004676 0.47876 11.8705
309 1O7N IND 0.00009347 0.46509 11.9205
310 3IU9 T07 0.001197 0.46234 11.9205
311 2YYJ FAD 0.02119 0.42019 11.9205
312 2YYJ 4HP 0.02119 0.42019 11.9205
313 2QQ0 ANP 0.01041 0.40001 11.9205
314 4Q3F TLA 0.0001669 0.42022 11.9658
315 4G87 UD1 0.0002295 0.48274 12.5828
316 4KQL 1SG 0.002109 0.45416 12.5828
317 3HVJ 705 0.03844 0.41117 12.5828
318 4HA6 FAD 0.01244 0.40931 12.5828
319 1HV9 COA 0.002005 0.44545 13.245
320 4JP3 CIT 0.0009417 0.44343 13.245
321 1GSA ADP 0.002941 0.43858 13.245
322 2BJK NAD 0.008349 0.42339 13.245
323 1FWY UD1 0.003082 0.42195 13.245
324 1HV9 UD1 0.005044 0.41357 13.245
325 2NT8 ATP 0.00648 0.40546 13.245
326 1N6B DMZ 0.02343 0.40126 13.245
327 4OYA 1VE 0.0002393 0.51405 13.9073
328 1VQ2 DDN 0.0004569 0.48242 13.9073
329 3FSJ D7K 0.0007577 0.47743 13.9073
330 1RRC ADP 0.002691 0.41072 13.9073
331 2WIC GNP 0.00006303 0.47461 14.5695
332 1DKU AP2 0.0006608 0.44136 15.2318
333 1D6H COA 0.01988 0.40094 15.2318
334 1D09 PAL 0.003674 0.4635 15.894
335 2BTO GTP 0.000887 0.45066 15.894
336 4QN7 G39 0.003618 0.42285 15.894
337 2OWZ F6P 0.01427 0.40321 15.894
338 1AL8 FMN 0.001821 0.44895 16.5563
339 1SSQ CYS 0.003525 0.434 16.5563
340 2IMP LAC 0.0008432 0.42555 16.5563
341 1FIQ FAD 0.003451 0.42248 16.5563
342 3CL7 HYN 0.004549 0.4055 16.5563
343 1RZM E4P 0.002672 0.43739 17.2185
344 1RZM PEP 0.003444 0.41393 17.2185
345 1V5F FAD 0.006727 0.46188 17.8808
346 1V5F TPP 0.006727 0.46188 17.8808
347 1G0N PHH 0.01189 0.44504 17.8808
348 1EP2 ORO 0.001728 0.43434 17.8808
349 3WSJ MK1 0.0002677 0.48153 18.9655
350 2J7T 274 0.00475 0.41068 19.2053
351 4LKK SIA GAL 0.001479 0.41454 19.8675
352 1OAA OAA 0.0146 0.40644 20.5298
353 1EXB NDP 0.0002344 0.50083 21.8543
354 3EAU PDN 0.000859 0.48027 21.8543
355 3EAU NDP 0.000859 0.48027 21.8543
356 1OTH PAO 0.0001616 0.47201 22.5166
357 4GQB 0XU 0.0001441 0.4966 22.7273
358 4Q3R XA2 0.004967 0.40561 23.8411
359 4H3P ANP 0.02435 0.40092 23.8411
360 1KGQ NPI 0.00324 0.453 25.1656
361 1KGQ SCO 0.003395 0.453 25.1656
362 3QWI CUE 0.03897 0.41431 25.8278
363 2QS8 MET 0.003831 0.41428 27.1523
364 1OWB NAD 0.00655 0.40724 28.4768
Pocket No.: 2; Query (leader) PDB : 3NGU; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3ngu.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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