Receptor
PDB id Resolution Class Description Source Keywords
1UCN 2 Å EC: 2.7.4.6 X-RAY STRUCTURE OF HUMAN NUCLEOSIDE DIPHOSPHATE KINASE A COM WITH ADP AT 2 A RESOLUTION HOMO SAPIENS MUTANT COMPLEXE ADP TRANSFERASE
Ref.: NUCLEOTIDE BINDING TO NUCLEOSIDE DIPHOSPHATE KINASE STRUCTURE OF HUMAN NDPK-A IN COMPLEX WITH ADP AND C TO PROTEIN KINASES J.MOL.BIOL. V. 332 915 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:1160;
B:2160;
C:3160;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 6 uM
427.201 C10 H15 N5 O10 P2 c1nc(...
CA A:1162;
B:1002;
B:2162;
C:1001;
C:3162;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
PO4 A:1161;
B:2161;
C:3161;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
TRS B:1003;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UCN 2 Å EC: 2.7.4.6 X-RAY STRUCTURE OF HUMAN NUCLEOSIDE DIPHOSPHATE KINASE A COM WITH ADP AT 2 A RESOLUTION HOMO SAPIENS MUTANT COMPLEXE ADP TRANSFERASE
Ref.: NUCLEOTIDE BINDING TO NUCLEOSIDE DIPHOSPHATE KINASE STRUCTURE OF HUMAN NDPK-A IN COMPLEX WITH ADP AND C TO PROTEIN KINASES J.MOL.BIOL. V. 332 915 2003
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1BE4 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
2 3BBB - DG C10 H14 N5 O7 P c1nc2c(n1[....
3 1NUE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 1BHN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 2HVD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 1UCN Kd = 6 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 3BBF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 2HVE - 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 : 1UCN; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1ucn.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1UCN; 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: 1ucn.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1UCN; Ligand: ADP; Similar sites found: 296
This union binding pocket(no: 3) in the query (biounit: 1ucn.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.001237 0.49444 None
2 1Y1A GSH 0.002969 0.47699 None
3 2HJ3 FAD 0.0001623 0.45406 None
4 1Y75 NAG 0.0007297 0.43503 None
5 1UO4 PIH 0.01102 0.43083 None
6 3S9K CIT 0.01625 0.42811 None
7 1DSS NAD 0.00282 0.41495 None
8 1UW1 ADP 0.004813 0.41351 None
9 2ALG HP6 0.002547 0.4098 None
10 2ALG DAO 0.002547 0.4098 None
11 1UO5 PIH 0.04261 0.40774 None
12 2IYG FMN 0.002043 0.40739 None
13 2F01 BTQ 0.04156 0.40048 None
14 1YRX FMN 0.001557 0.4003 None
15 3PMD 11A 0.0007203 0.42946 1.97368
16 2HFK E4H 0.00187 0.42468 1.97368
17 1BGQ RDC 0.002391 0.41923 1.97368
18 1PL6 572 0.006916 0.40939 1.97368
19 1VQ2 DDN 0.001867 0.40873 1.97368
20 1U7Z PMT 0.01018 0.40277 1.97368
21 2YLD CMO 0.01191 0.40225 2.3622
22 3P3N AKG 0.00195 0.43648 2.63158
23 2BO4 FLC 0.003217 0.43375 2.63158
24 1XE7 GUN 0.007149 0.4322 2.63158
25 1ZFJ IMP 0.02235 0.42461 2.63158
26 2VBQ BSJ 0.003344 0.42302 2.63158
27 3PFG SAM 0.005443 0.42111 2.63158
28 3PFG TLO 0.005443 0.42111 2.63158
29 2IZ1 ATR 0.005715 0.41617 2.63158
30 3MPI GRA 0.01545 0.41254 2.63158
31 3S2Y FMN 0.001953 0.41013 2.63158
32 1I2B NAD 0.02258 0.40627 2.63158
33 1I2B USQ 0.02258 0.40627 2.63158
34 1I2B UPG 0.02258 0.40627 2.63158
35 2OFE NAG 0.001309 0.44401 2.8169
36 1NU4 MLA 0.004941 0.45858 3.09278
37 1JN2 SFP 0.0001937 0.57374 3.28947
38 3BLI ACO 0.0002953 0.44648 3.28947
39 4M5P MLA 0.009583 0.43395 3.28947
40 3FC2 IBI 0.002413 0.42343 3.28947
41 1CBF SAH 0.0006601 0.42272 3.28947
42 4KCF AKM 0.002224 0.41556 3.28947
43 3CKZ ZMR 0.008145 0.41498 3.28947
44 3WBF API 0.005795 0.41242 3.28947
45 3IU9 T07 0.01862 0.41185 3.28947
46 2OD9 A1R NCA 0.007149 0.40512 3.28947
47 3NKS FAD 0.0116 0.40485 3.28947
48 1PEA ACM 0.01919 0.40451 3.28947
49 3MB5 SAM 0.02248 0.40349 3.28947
50 3IOI 1GW 0.009262 0.40321 3.28947
51 3NKS ACJ 0.002343 0.40296 3.28947
52 1V35 NAI 0.0171 0.40186 3.28947
53 1NZY BCA 0.007941 0.4007 3.28947
54 3M0J OAF 0.01033 0.40015 3.28947
55 2GJ3 FAD 0.008977 0.40191 3.33333
56 9LDT OXM 0.002313 0.46569 3.94737
57 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.001895 0.44779 3.94737
58 1D6H COA 0.001896 0.44268 3.94737
59 1PX8 XYP 0.001366 0.43645 3.94737
60 3ZPG 5GP 0.006771 0.43336 3.94737
61 1R6D DAU 0.004833 0.43295 3.94737
62 1R6D NAD 0.006942 0.42714 3.94737
63 3F3E LEU 0.003424 0.42606 3.94737
64 2XCG XCG 0.002177 0.42516 3.94737
65 4GYW UDP 0.003229 0.42241 3.94737
66 1T0I FMN 0.0009289 0.42191 3.94737
67 1X54 4AD 0.001799 0.42073 3.94737
68 3F81 STT 0.01293 0.41953 3.94737
69 3LZW FAD 0.005995 0.41739 3.94737
70 1F1V DHY 0.00246 0.41437 3.94737
71 1TOI HCI 0.004565 0.41134 3.94737
72 2ZI8 SDT 0.004582 0.41128 3.94737
73 2QDT I38 0.001615 0.40876 3.94737
74 1QPB PYM 0.004633 0.40825 3.94737
75 4QVH COA 0.006242 0.40402 3.94737
76 3CKJ CIT 0.006082 0.40373 3.94737
77 1XHL NDP 0.009305 0.40314 3.94737
78 3LZW NAP 0.03098 0.4024 3.94737
79 4I71 AGV 0.003274 0.40193 3.94737
80 3TKA CTN 0.000815 0.51529 4.60526
81 2V6O FAD 0.001901 0.46276 4.60526
82 1M5B BN1 0.001923 0.45288 4.60526
83 4M51 BEZ 0.001837 0.45254 4.60526
84 2Z9V PXM 0.0005409 0.44648 4.60526
85 4F2Q QUS 0.0002565 0.43485 4.60526
86 1R37 NAD 0.001716 0.43446 4.60526
87 1QO0 BMD 0.005136 0.41819 4.60526
88 1GJW GLC 0.007205 0.41791 4.60526
89 4OYA 1VE 0.03455 0.41684 4.60526
90 4JCA CIT 0.02236 0.41494 4.60526
91 1B9I PXG 0.002311 0.41493 4.60526
92 1E4E PHY 0.0006848 0.41274 4.60526
93 1A59 CIT 0.009625 0.41221 4.60526
94 4GLJ RHB 0.006491 0.40927 4.60526
95 2AEB ABH 0.007276 0.40911 4.60526
96 2YVF FAD 0.02375 0.40862 4.60526
97 2YVF NAD 0.02456 0.40862 4.60526
98 3FSJ D7K 0.02961 0.40859 4.60526
99 3GJB AKG 0.003518 0.40828 4.60526
100 4AF0 IMP 0.01899 0.40503 4.60526
101 1JIL 485 0.003187 0.40432 4.60526
102 2HGS ADP 0.00489 0.40104 4.60526
103 4INB 1F6 0.0002051 0.44812 4.79452
104 2ZWS PLM 0.001188 0.49197 5.26316
105 1FIQ FAD 0.0004394 0.45779 5.26316
106 3Q9T FAY 0.0006271 0.4567 5.26316
107 1G8S MET 0.001154 0.44639 5.26316
108 1IUP ALQ 0.001275 0.43417 5.26316
109 4F4S EFO 0.001454 0.4291 5.26316
110 3LTW HLZ 0.002927 0.42882 5.26316
111 2YBQ UP2 0.003151 0.42638 5.26316
112 1TDF NAP 0.01774 0.41942 5.26316
113 2Q2V NAD 0.004339 0.41736 5.26316
114 1XIU REA 0.0004685 0.41224 5.26316
115 2NX1 PEP 0.00401 0.41211 5.26316
116 1TDF FAD 0.01264 0.41157 5.26316
117 2GWD GLU 0.003298 0.40938 5.26316
118 3GEG NAD 0.005062 0.40822 5.26316
119 1GSA ADP 0.01613 0.40798 5.26316
120 1FIQ MTE 0.006562 0.40657 5.26316
121 1ZJ6 G3D 0.002178 0.40637 5.26316
122 1GSA GSH 0.01456 0.40472 5.26316
123 1TIW TFB 0.01292 0.40398 5.26316
124 1TIW FAD 0.01292 0.40398 5.26316
125 4O8A FAD 0.008346 0.40377 5.26316
126 3CEV ARG 0.004784 0.40305 5.26316
127 1FIQ SAL 0.01057 0.40096 5.26316
128 1YBH FAD 0.01649 0.40066 5.26316
129 3IL6 B83 0.004017 0.40062 5.26316
130 2Q8M AMP 0.003139 0.40054 5.26316
131 1OGD RIP 0.006924 0.40163 5.34351
132 3OND NAD 0.0007354 0.46342 5.92105
133 3OND ADN 0.0007354 0.46342 5.92105
134 2WQP WQP 0.000345 0.45131 5.92105
135 3U1T MLI 0.001636 0.44702 5.92105
136 4OJ8 AKG 0.0002704 0.44371 5.92105
137 1XX4 BAM 0.006693 0.43361 5.92105
138 4OJ8 2TQ 0.00077 0.43098 5.92105
139 1C0I BE2 0.004695 0.42843 5.92105
140 1C0I FAD 0.004695 0.42843 5.92105
141 1RYD NDP 0.003579 0.4253 5.92105
142 3RO7 TDR 0.002651 0.41901 5.92105
143 4DQ2 BTX 0.00314 0.41761 5.92105
144 1CR1 TTP 0.01941 0.41658 5.92105
145 1EDO NAP 0.02077 0.41531 5.92105
146 4N7C AEF 0.008427 0.41483 5.92105
147 3GE7 AFQ 0.006186 0.4113 5.92105
148 2AE2 PTO 0.009714 0.41093 5.92105
149 2AE2 NAP 0.009714 0.41093 5.92105
150 2VAR KDG 0.001766 0.40971 5.92105
151 2CSN CKI 0.004587 0.40692 5.92105
152 2PT9 S4M 0.004699 0.40653 5.92105
153 1X1T NAD 0.03632 0.40578 5.92105
154 2VAR KDF 0.00242 0.40468 5.92105
155 1IYE PGU 0.009213 0.40209 5.92105
156 2B82 ADN 0.004377 0.40108 5.92105
157 3N5O GSH 0.003592 0.40046 5.92105
158 3QDT A2G GAL 0.0001175 0.50864 6.29371
159 3QDY CBS 0.01127 0.40911 6.29371
160 3QDW A2G 0.01177 0.40261 6.29371
161 2XBN PMP 0.006233 0.40186 6.32318
162 2GSD NAD 0.00123 0.44142 6.57895
163 2C7G ODP 0.005348 0.43265 6.57895
164 2C7G FAD 0.005571 0.43265 6.57895
165 2BJK NAD 0.007199 0.42609 6.57895
166 5YAS FAC 0.0002103 0.42576 6.57895
167 1E2S CSN 0.0006306 0.42094 6.57895
168 4IVG ANP 0.01368 0.41253 6.57895
169 2YIV YIV 0.01321 0.4122 6.57895
170 2DTX BMA 0.008982 0.41133 6.57895
171 1Y9Q MED 0.009908 0.40575 6.57895
172 1UMP SQA 0.005772 0.40313 6.57895
173 3SHR CMP 0.003577 0.40308 6.57895
174 4JWX 1N4 0.006501 0.40274 6.57895
175 2BNF UTP 0.01506 0.40129 6.57895
176 2H6T IVA VAL VAL STA ALA STA 0.003073 0.40088 6.57895
177 1I0Z OXM 0.005457 0.43797 7.23684
178 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.00385 0.42719 7.23684
179 3I0O SMI 0.002819 0.42326 7.23684
180 2NVK NAP 0.002722 0.41807 7.23684
181 2Y7P SAL 0.002727 0.41804 7.23684
182 2Q1A 2KT 0.005325 0.41751 7.23684
183 1DXY COI 0.01472 0.41676 7.23684
184 4HA6 FAD 0.008209 0.41669 7.23684
185 4AQL TXC 0.001413 0.41311 7.23684
186 1UXG NAD 0.007923 0.41252 7.23684
187 1UXG FUM 0.007923 0.41252 7.23684
188 1SQ5 PAU 0.004225 0.41034 7.23684
189 2BNE U5P 0.008094 0.40728 7.23684
190 2VJJ RAM GLC GAL NAG NAG GLC 0.01866 0.4065 7.23684
191 2Y7G AAE 0.001512 0.40156 7.23684
192 3R35 4CO 0.008463 0.40353 7.28477
193 3ZZS TRP 0.01104 0.40361 7.69231
194 2Q97 ATP 0.0005845 0.43543 7.89474
195 4GQB 0XU 0.007028 0.42615 7.89474
196 2Q8H TF4 0.01065 0.42369 7.89474
197 1LVL FAD 0.006231 0.42159 7.89474
198 4BT5 23B 0.0001819 0.42105 7.89474
199 1JA9 NDP 0.01778 0.41824 7.89474
200 1YAG ATP 0.001964 0.41758 7.89474
201 2EWM NAD 0.00514 0.41199 7.89474
202 3O03 NAP 0.003733 0.41184 7.89474
203 3PNL ADP 0.00286 0.40973 7.89474
204 4CMF PXG 0.02165 0.40418 7.89474
205 2AMV BIN 0.02682 0.40027 7.89474
206 1ULE GLA GAL NAG 0.005752 0.42923 8
207 1H8G CHT 0.004628 0.46012 8.42105
208 1O9U ADZ 0.002559 0.45412 8.55263
209 1EP2 ORO 0.0007428 0.4488 8.55263
210 1H16 PYR 0.0065 0.42673 8.55263
211 1EP2 FMN 0.00262 0.4192 8.55263
212 4R33 SAH 0.004032 0.41862 8.55263
213 4R33 TRP 0.004032 0.41862 8.55263
214 1QF5 GDP 0.01067 0.41543 8.55263
215 1QF5 RPL 0.01067 0.41543 8.55263
216 2OYS FMN 0.002414 0.41065 8.55263
217 3AHC TPP 0.005698 0.40895 8.55263
218 4FR3 LYS ARG ARG LYS SEP VAL 0.03754 0.40461 8.55263
219 4FR3 0V4 0.04039 0.40321 8.55263
220 4PO2 ASN ARG LEU LEU LEU THR GLY 0.004599 0.40203 8.55263
221 3ZRR PXG 0.004116 0.40023 8.55263
222 2BOI MFU 0.0039 0.41174 8.84956
223 3BHO B4P 0.003959 0.4537 9.21053
224 1L2T ATP 0.0004466 0.44171 9.21053
225 3P0K FAD 0.0004535 0.43954 9.21053
226 3AYS CT3 0.001224 0.42073 9.21053
227 4PLG NAI 0.004691 0.4206 9.21053
228 4PLG OXM 0.004691 0.4206 9.21053
229 1OAA OAA 0.007234 0.41894 9.21053
230 4WBD CIT 0.01326 0.41212 9.21053
231 4IAE 1DX 0.01401 0.4117 9.21053
232 1RY2 AMP 0.004459 0.40739 9.21053
233 1P72 ADP 0.008889 0.4027 9.21053
234 4WBD ADP 0.01724 0.40071 9.21053
235 2EB5 OXL 0.001493 0.44153 9.86842
236 2YPO PHE 0.0008608 0.44078 9.86842
237 3GWT 066 0.00122 0.43632 9.86842
238 2F2U M77 0.0005968 0.43255 9.86842
239 1P9B IMO 0.002962 0.41255 9.86842
240 2QCX PF1 0.007118 0.40637 9.86842
241 1GEX PLP HSA 0.006039 0.40238 9.86842
242 3MA0 XYP 0.01941 0.4004 9.86842
243 2XVE FAD 0.0007442 0.47341 10.5263
244 1KDK DHT 0.001997 0.41555 10.5263
245 4NAT ADP 0.03138 0.41261 10.5263
246 4NAT 2W5 0.009994 0.40745 10.5263
247 1RYI GOA 0.04841 0.40712 10.5263
248 3MAG 3MA 0.001858 0.47058 11.1842
249 1G0N PHH 0.002664 0.43468 11.1842
250 2BZ1 TAU 0.01767 0.42863 11.1842
251 4WX0 HXD 0.001477 0.41015 11.1842
252 4NAO AKG 0.01164 0.40847 11.1842
253 4E28 0MZ 0.009954 0.40024 11.1842
254 1TU3 GNP 0.006404 0.40141 11.3924
255 1DLJ NAI 0.001637 0.45086 11.8421
256 4RJK PYR 0.008291 0.44644 11.8421
257 1DLJ UGA 0.006042 0.42731 11.8421
258 1H2B NAJ 0.005767 0.4125 11.8421
259 3UH0 TSB 0.003651 0.40748 11.8421
260 1Q3Q ANP 0.001882 0.45327 12.5
261 3E5P PPI 0.0197 0.44504 12.5
262 2NLI FMN 0.00422 0.43847 12.5
263 2NLI LAC 0.004566 0.43847 12.5
264 2B4Q NAP 0.004099 0.41451 12.5
265 3K3K A8S 0.001838 0.41311 12.5
266 4BMO FMN 0.005148 0.40502 12.5
267 3BAZ NAP 0.002002 0.4206 13.1579
268 3GM5 CIT 0.004553 0.42047 13.1579
269 1I7L ATP 0.003845 0.40664 13.1579
270 1UJ5 5RP 0.0006133 0.41592 13.8158
271 4KCT PYR 0.004461 0.40424 13.8158
272 1Y2W NAG 0.004838 0.41932 14.0845
273 3WE0 FAD 0.000461 0.46771 14.4737
274 1Y7P RIP 0.003322 0.44045 14.4737
275 3PJU C2E 0.004836 0.40754 14.4737
276 4IOK ADP 0.005667 0.40491 14.4737
277 1ECC PCP 0.000858 0.43108 15.1316
278 1EZV SMA 0.002818 0.41651 15.1316
279 4W6Z 8ID 0.0008715 0.44859 15.7895
280 1HDR NAD 0.01337 0.41216 15.7895
281 3MTW M3R 0.0006917 0.41185 15.7895
282 4O1M NAD 0.008706 0.4018 15.7895
283 1ZK7 FAD 0.01935 0.40309 16.4474
284 2A0W DIH 0.0104 0.40297 16.4474
285 1YHM AHD 0.009065 0.40195 17.1053
286 1T0S BML 0.001824 0.4527 17.7632
287 2R40 EPH 0.0002799 0.46044 18.4211
288 1PR9 NAP 0.005653 0.41284 18.4211
289 4COQ SAN 0.002715 0.43024 21.0526
290 2J7T 274 0.002783 0.41964 21.0526
291 2JFV FLC 0.01158 0.40279 21.0526
292 2XDQ MGX 0.00246 0.45496 22.3684
293 4BAS GNP 0.004185 0.4018 24.3421
294 1Z45 NAD 0.005438 0.40974 26.3158
295 1VDC FAD 0.0137 0.41092 32.8947
296 1EXB NDP 0.04819 0.40035 36.8932
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